data_19331 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19331 _Entry.PDB_ID 2MA7 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19331 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.565 -0.305 19331 2 1 1 . 1 1 12 12 PRO C C 12 175.377 175.377 175.235 0.142 19331 3 1 1 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.939 0.446 19331 4 1 1 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.246 -0.177 19331 5 1 1 . 1 1 13 13 ASN N N 13 123.885 123.885 116.950 6.935 19331 6 1 1 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.741 -0.277 19331 7 1 1 . 1 1 13 13 ASN C C 13 176.178 176.178 174.483 1.695 19331 8 1 1 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.761 2.073 19331 9 1 1 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.849 1.156 19331 10 1 1 . 1 1 13 13 ASN H H 13 8.001 8.001 8.546 -0.545 19331 11 1 1 . 1 1 14 14 GLY N N 14 113.831 113.831 108.204 5.627 19331 12 1 1 . 1 1 14 14 GLY C C 14 174.152 174.152 172.788 1.364 19331 13 1 1 . 1 1 14 14 GLY CA C 14 45.365 45.365 44.607 0.758 19331 14 1 1 . 1 1 14 14 GLY H H 14 8.367 8.367 8.980 -0.613 19331 15 1 1 . 1 1 15 15 LYS N N 15 119.903 119.903 119.632 0.271 19331 16 1 1 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.573 -0.276 19331 17 1 1 . 1 1 15 15 LYS C C 15 176.217 176.217 175.531 0.686 19331 18 1 1 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.361 1.560 19331 19 1 1 . 1 1 15 15 LYS CB C 15 32.804 32.804 34.227 -1.423 19331 20 1 1 . 1 1 15 15 LYS H H 15 8.200 8.200 8.100 0.100 19331 21 1 1 . 1 1 16 16 LEU N N 16 122.670 122.670 122.725 -0.055 19331 22 1 1 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.587 -0.133 19331 23 1 1 . 1 1 16 16 LEU C C 16 173.805 173.805 176.621 -2.816 19331 24 1 1 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.066 1.014 19331 25 1 1 . 1 1 16 16 LEU CB C 16 41.852 41.852 42.981 -1.129 19331 26 1 1 . 1 1 16 16 LEU H H 16 8.394 8.394 8.414 -0.020 19331 27 1 1 . 1 1 17 17 LYS N N 17 120.445 120.445 121.132 -0.687 19331 28 1 1 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.567 0.310 19331 29 1 1 . 1 1 17 17 LYS C C 17 175.777 175.777 175.791 -0.014 19331 30 1 1 . 1 1 17 17 LYS CA C 17 54.489 54.489 56.260 -1.771 19331 31 1 1 . 1 1 17 17 LYS CB C 17 35.154 35.154 32.886 2.268 19331 32 1 1 . 1 1 17 17 LYS H H 17 8.026 8.026 8.581 -0.555 19331 33 1 1 . 1 1 18 18 CYS N N 18 127.176 127.176 120.229 6.947 19331 34 1 1 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.645 -0.418 19331 35 1 1 . 1 1 18 18 CYS C C 18 176.551 176.551 174.147 2.404 19331 36 1 1 . 1 1 18 18 CYS CA C 18 60.677 60.677 57.367 3.310 19331 37 1 1 . 1 1 18 18 CYS CB C 18 29.821 29.821 29.217 0.604 19331 38 1 1 . 1 1 18 18 CYS H H 18 9.071 9.071 8.592 0.479 19331 39 1 1 . 1 1 19 19 ASP N N 19 130.419 130.419 123.245 7.174 19331 40 1 1 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.555 -0.191 19331 41 1 1 . 1 1 19 19 ASP C C 19 175.433 175.433 176.925 -1.492 19331 42 1 1 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.211 1.460 19331 43 1 1 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.547 -1.934 19331 44 1 1 . 1 1 19 19 ASP H H 19 9.137 9.137 8.212 0.925 19331 45 1 1 . 1 1 20 20 VAL N N 20 123.067 123.067 118.717 4.350 19331 46 1 1 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.144 -0.322 19331 47 1 1 . 1 1 20 20 VAL C C 20 177.009 177.009 175.186 1.823 19331 48 1 1 . 1 1 20 20 VAL CA C 20 65.362 65.362 62.788 2.574 19331 49 1 1 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.247 0.723 19331 50 1 1 . 1 1 20 20 VAL H H 20 9.022 9.022 8.222 0.800 19331 51 1 1 . 1 1 21 21 CYS N N 21 115.484 115.484 125.522 -10.038 19331 52 1 1 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.816 0.299 19331 53 1 1 . 1 1 21 21 CYS C C 21 176.178 176.178 174.758 1.420 19331 54 1 1 . 1 1 21 21 CYS CA C 21 58.067 58.067 59.167 -1.100 19331 55 1 1 . 1 1 21 21 CYS CB C 21 33.096 33.096 28.823 4.273 19331 56 1 1 . 1 1 21 21 CYS H H 21 8.092 8.092 8.445 -0.353 19331 57 1 1 . 1 1 22 22 GLY N N 22 113.222 113.222 112.472 0.750 19331 58 1 1 . 1 1 22 22 GLY C C 22 173.028 173.028 173.805 -0.777 19331 59 1 1 . 1 1 22 22 GLY CA C 22 45.741 45.741 45.207 0.534 19331 60 1 1 . 1 1 22 22 GLY H H 22 7.931 7.931 8.093 -0.162 19331 61 1 1 . 1 1 23 23 MET N N 23 122.930 122.930 121.300 1.630 19331 62 1 1 . 1 1 23 23 MET HA H 23 4.075 4.075 4.605 -0.530 19331 63 1 1 . 1 1 23 23 MET C C 23 174.950 174.950 176.152 -1.202 19331 64 1 1 . 1 1 23 23 MET CA C 23 57.226 57.226 54.893 2.333 19331 65 1 1 . 1 1 23 23 MET CB C 23 33.750 33.750 33.220 0.530 19331 66 1 1 . 1 1 23 23 MET H H 23 8.276 8.276 7.976 0.300 19331 67 1 1 . 1 1 24 24 VAL N N 24 126.800 126.800 123.828 2.972 19331 68 1 1 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.433 -0.103 19331 69 1 1 . 1 1 24 24 VAL C C 24 176.124 176.124 175.506 0.618 19331 70 1 1 . 1 1 24 24 VAL CA C 24 62.581 62.581 61.617 0.964 19331 71 1 1 . 1 1 24 24 VAL CB C 24 31.843 31.843 33.551 -1.708 19331 72 1 1 . 1 1 24 24 VAL H H 24 8.466 8.466 8.348 0.118 19331 73 1 1 . 1 1 25 25 CYS N N 25 125.377 125.377 126.113 -0.736 19331 74 1 1 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.884 -0.155 19331 75 1 1 . 1 1 25 25 CYS C C 25 173.829 173.829 174.570 -0.741 19331 76 1 1 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.258 -0.748 19331 77 1 1 . 1 1 25 25 CYS CB C 25 31.649 31.649 29.559 2.090 19331 78 1 1 . 1 1 25 25 CYS H H 25 8.720 8.720 8.579 0.141 19331 79 1 1 . 1 1 26 26 ILE N N 26 119.435 119.435 121.372 -1.937 19331 80 1 1 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.812 -0.642 19331 81 1 1 . 1 1 26 26 ILE C C 26 175.334 175.334 175.275 0.059 19331 82 1 1 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.330 0.616 19331 83 1 1 . 1 1 26 26 ILE CB C 26 37.870 37.870 40.432 -2.562 19331 84 1 1 . 1 1 26 26 ILE H H 26 8.407 8.407 8.909 -0.502 19331 85 1 1 . 1 1 27 27 GLY N N 27 109.455 109.455 113.825 -4.370 19331 86 1 1 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.298 0.300 19331 87 1 1 . 1 1 27 27 GLY H H 27 7.444 7.444 8.442 -0.998 19331 88 1 1 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.420 -0.240 19331 89 1 1 . 1 1 28 28 PRO C C 28 178.526 178.526 176.359 2.167 19331 90 1 1 . 1 1 28 28 PRO CA C 28 65.014 65.014 61.759 3.255 19331 91 1 1 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.876 -1.128 19331 92 1 1 . 1 1 29 29 ASN N N 29 118.871 118.871 119.514 -0.643 19331 93 1 1 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.697 -0.123 19331 94 1 1 . 1 1 29 29 ASN C C 29 176.925 176.925 176.526 0.399 19331 95 1 1 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.774 3.680 19331 96 1 1 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.554 -0.073 19331 97 1 1 . 1 1 29 29 ASN H H 29 8.722 8.722 8.498 0.224 19331 98 1 1 . 1 1 30 30 VAL N N 30 120.904 120.904 120.844 0.060 19331 99 1 1 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.937 -0.220 19331 100 1 1 . 1 1 30 30 VAL C C 30 178.526 178.526 176.897 1.629 19331 101 1 1 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.471 1.410 19331 102 1 1 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.950 -0.110 19331 103 1 1 . 1 1 30 30 VAL H H 30 7.475 7.475 7.882 -0.407 19331 104 1 1 . 1 1 31 31 LEU N N 31 120.665 120.665 120.826 -0.161 19331 105 1 1 . 1 1 31 31 LEU HA H 31 4.467 4.467 3.982 0.485 19331 106 1 1 . 1 1 31 31 LEU C C 31 177.379 177.379 179.268 -1.889 19331 107 1 1 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.397 0.705 19331 108 1 1 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.290 0.077 19331 109 1 1 . 1 1 31 31 LEU H H 31 7.853 7.853 7.543 0.310 19331 110 1 1 . 1 1 32 32 MET N N 32 117.671 117.671 118.671 -1.000 19331 111 1 1 . 1 1 32 32 MET HA H 32 4.099 4.099 4.262 -0.163 19331 112 1 1 . 1 1 32 32 MET C C 32 178.927 178.927 178.173 0.754 19331 113 1 1 . 1 1 32 32 MET CA C 32 59.015 59.015 57.767 1.248 19331 114 1 1 . 1 1 32 32 MET CB C 32 32.105 32.105 32.188 -0.083 19331 115 1 1 . 1 1 32 32 MET H H 32 7.974 7.974 8.309 -0.335 19331 116 1 1 . 1 1 33 33 VAL N N 33 119.384 119.384 119.489 -0.105 19331 117 1 1 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.577 -0.035 19331 118 1 1 . 1 1 33 33 VAL C C 33 179.275 179.275 177.503 1.772 19331 119 1 1 . 1 1 33 33 VAL CA C 33 66.653 66.653 65.865 0.788 19331 120 1 1 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.668 0.147 19331 121 1 1 . 1 1 33 33 VAL H H 33 7.747 7.747 7.600 0.147 19331 122 1 1 . 1 1 34 34 HIS N N 34 120.938 120.938 118.504 2.434 19331 123 1 1 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.200 0.020 19331 124 1 1 . 1 1 34 34 HIS C C 34 178.486 178.486 177.548 0.938 19331 125 1 1 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.296 0.502 19331 126 1 1 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.850 -1.814 19331 127 1 1 . 1 1 34 34 HIS H H 34 8.664 8.664 8.106 0.558 19331 128 1 1 . 1 1 35 35 LYS N N 35 119.725 119.725 120.135 -0.410 19331 129 1 1 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.274 -0.558 19331 130 1 1 . 1 1 35 35 LYS C C 35 178.526 178.526 179.413 -0.887 19331 131 1 1 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.032 1.634 19331 132 1 1 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.261 -0.833 19331 133 1 1 . 1 1 35 35 LYS H H 35 9.034 9.034 7.974 1.060 19331 134 1 1 . 1 1 36 36 ARG N N 36 118.491 118.491 118.318 0.173 19331 135 1 1 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.119 0.030 19331 136 1 1 . 1 1 36 36 ARG C C 36 177.752 177.752 177.369 0.383 19331 137 1 1 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.310 -0.203 19331 138 1 1 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.773 -0.059 19331 139 1 1 . 1 1 36 36 ARG H H 36 7.458 7.458 8.057 -0.599 19331 140 1 1 . 1 1 37 37 SER N N 37 113.811 113.811 112.290 1.521 19331 141 1 1 . 1 1 37 37 SER HA H 37 4.202 4.202 4.259 -0.057 19331 142 1 1 . 1 1 37 37 SER C C 37 174.576 174.576 175.362 -0.786 19331 143 1 1 . 1 1 37 37 SER CA C 37 60.412 60.412 60.472 -0.060 19331 144 1 1 . 1 1 37 37 SER CB C 37 62.129 62.129 63.053 -0.924 19331 145 1 1 . 1 1 37 37 SER H H 37 7.771 7.771 7.717 0.054 19331 146 1 1 . 1 1 38 38 HIS N N 38 118.829 118.829 118.287 0.542 19331 147 1 1 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.538 0.456 19331 148 1 1 . 1 1 38 38 HIS C C 38 174.977 174.977 175.897 -0.920 19331 149 1 1 . 1 1 38 38 HIS CA C 38 54.798 54.798 57.661 -2.863 19331 150 1 1 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.274 -1.958 19331 151 1 1 . 1 1 38 38 HIS H H 38 7.265 7.265 7.351 -0.086 19331 152 1 1 . 1 1 39 39 THR N N 39 113.289 113.289 115.862 -2.573 19331 153 1 1 . 1 1 39 39 THR HA H 39 4.353 4.353 4.263 0.090 19331 154 1 1 . 1 1 39 39 THR C C 39 174.977 174.977 175.721 -0.744 19331 155 1 1 . 1 1 39 39 THR CA C 39 62.252 62.252 63.756 -1.504 19331 156 1 1 . 1 1 39 39 THR CB C 39 69.773 69.773 69.086 0.687 19331 157 1 1 . 1 1 39 39 THR H H 39 7.814 7.814 7.508 0.306 19331 158 1 1 . 1 1 40 40 GLY N N 40 110.879 110.879 114.906 -4.027 19331 159 1 1 . 1 1 40 40 GLY C C 40 173.802 173.802 173.971 -0.169 19331 160 1 1 . 1 1 40 40 GLY CA C 40 45.173 45.173 47.074 -1.901 19331 161 1 1 . 1 1 40 40 GLY H H 40 8.425 8.425 8.472 -0.047 19331 162 1 1 . 1 1 41 41 GLU N N 41 120.081 120.081 117.596 2.485 19331 163 1 1 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.375 -0.153 19331 164 1 1 . 1 1 41 41 GLU C C 41 176.151 176.151 175.714 0.437 19331 165 1 1 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.219 0.491 19331 166 1 1 . 1 1 41 41 GLU CB C 41 30.550 30.550 29.391 1.159 19331 167 1 1 . 1 1 41 41 GLU H H 41 8.127 8.127 8.620 -0.493 19331 168 1 1 . 1 1 42 42 ARG N N 42 121.379 121.379 121.708 -0.329 19331 169 1 1 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.644 -0.114 19331 170 1 1 . 1 1 42 42 ARG CA C 42 53.378 53.378 53.333 0.045 19331 171 1 1 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.872 -0.848 19331 172 1 1 . 1 1 42 42 ARG H H 42 8.370 8.370 7.810 0.560 19331 173 1 1 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.455 -0.195 19331 174 1 1 . 1 1 43 43 PRO C C 43 176.151 176.151 175.999 0.152 19331 175 1 1 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.824 0.828 19331 176 1 1 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.809 0.260 19331 177 1 1 . 1 1 44 44 PHE N N 44 116.589 116.589 125.310 -8.721 19331 178 1 1 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.481 0.364 19331 179 1 1 . 1 1 44 44 PHE C C 44 174.603 174.603 175.274 -0.671 19331 180 1 1 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.668 -0.588 19331 181 1 1 . 1 1 44 44 PHE CB C 44 39.654 39.654 37.611 2.043 19331 182 1 1 . 1 1 44 44 PHE H H 44 7.659 7.659 8.370 -0.711 19331 183 1 1 . 1 1 45 45 HIS N N 45 121.791 121.791 119.889 1.902 19331 184 1 1 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.264 0.026 19331 185 1 1 . 1 1 45 45 HIS C C 45 172.655 172.655 174.893 -2.238 19331 186 1 1 . 1 1 45 45 HIS CA C 45 54.560 54.560 53.752 0.808 19331 187 1 1 . 1 1 45 45 HIS CB C 45 31.774 31.774 29.689 2.085 19331 188 1 1 . 1 1 45 45 HIS H H 45 9.070 9.070 8.089 0.981 19331 189 1 1 . 1 1 46 46 CYS N N 46 125.392 125.392 125.743 -0.351 19331 190 1 1 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.497 0.045 19331 191 1 1 . 1 1 46 46 CYS C C 46 176.525 176.525 175.764 0.761 19331 192 1 1 . 1 1 46 46 CYS CA C 46 59.233 59.233 59.084 0.150 19331 193 1 1 . 1 1 46 46 CYS CB C 46 29.948 29.948 27.268 2.680 19331 194 1 1 . 1 1 46 46 CYS H H 46 9.189 9.189 8.986 0.203 19331 195 1 1 . 1 1 47 47 ASN N N 47 128.827 128.827 126.346 2.481 19331 196 1 1 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.661 0.036 19331 197 1 1 . 1 1 47 47 ASN C C 47 175.433 175.433 176.137 -0.704 19331 198 1 1 . 1 1 47 47 ASN CA C 47 54.982 54.982 55.395 -0.413 19331 199 1 1 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.597 -0.360 19331 200 1 1 . 1 1 47 47 ASN H H 47 9.302 9.302 8.898 0.404 19331 201 1 1 . 1 1 48 48 GLN N N 48 120.952 120.952 120.523 0.429 19331 202 1 1 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.518 -0.211 19331 203 1 1 . 1 1 48 48 GLN C C 48 176.151 176.151 174.698 1.453 19331 204 1 1 . 1 1 48 48 GLN CA C 48 57.832 57.832 55.123 2.709 19331 205 1 1 . 1 1 48 48 GLN CB C 48 29.163 29.163 26.992 2.171 19331 206 1 1 . 1 1 48 48 GLN H H 48 9.139 9.139 8.234 0.905 19331 207 1 1 . 1 1 49 49 CYS N N 49 116.176 116.176 119.838 -3.662 19331 208 1 1 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.566 0.583 19331 209 1 1 . 1 1 49 49 CYS C C 49 175.430 175.430 175.074 0.356 19331 210 1 1 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.501 -1.152 19331 211 1 1 . 1 1 49 49 CYS CB C 49 32.264 32.264 29.894 2.370 19331 212 1 1 . 1 1 49 49 CYS H H 49 8.117 8.117 8.238 -0.121 19331 213 1 1 . 1 1 50 50 GLY N N 50 111.724 111.724 110.025 1.699 19331 214 1 1 . 1 1 50 50 GLY C C 50 173.758 173.758 173.718 0.040 19331 215 1 1 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.683 0.208 19331 216 1 1 . 1 1 50 50 GLY H H 50 8.142 8.142 8.504 -0.362 19331 217 1 1 . 1 1 51 51 ALA N N 51 126.041 126.041 122.410 3.631 19331 218 1 1 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.577 -0.490 19331 219 1 1 . 1 1 51 51 ALA C C 51 175.350 175.350 176.000 -0.650 19331 220 1 1 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.178 2.327 19331 221 1 1 . 1 1 51 51 ALA CB C 51 19.611 19.611 20.748 -1.137 19331 222 1 1 . 1 1 51 51 ALA H H 51 8.420 8.420 7.610 0.810 19331 223 1 1 . 1 1 52 52 SER N N 52 113.511 113.511 115.538 -2.027 19331 224 1 1 . 1 1 52 52 SER HA H 52 5.255 5.255 4.640 0.615 19331 225 1 1 . 1 1 52 52 SER C C 52 173.002 173.002 173.431 -0.429 19331 226 1 1 . 1 1 52 52 SER CA C 52 56.680 56.680 57.100 -0.420 19331 227 1 1 . 1 1 52 52 SER CB C 52 65.958 65.958 63.962 1.996 19331 228 1 1 . 1 1 52 52 SER H H 52 7.829 7.829 8.251 -0.422 19331 229 1 1 . 1 1 53 53 PHE N N 53 117.376 117.376 126.685 -9.309 19331 230 1 1 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.925 -0.047 19331 231 1 1 . 1 1 53 53 PHE C C 53 174.977 174.977 175.721 -0.744 19331 232 1 1 . 1 1 53 53 PHE CA C 53 57.556 57.556 56.785 0.771 19331 233 1 1 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.053 1.821 19331 234 1 1 . 1 1 53 53 PHE H H 53 8.802 8.802 8.352 0.450 19331 235 1 1 . 1 1 54 54 THR N N 54 114.290 114.290 112.762 1.528 19331 236 1 1 . 1 1 54 54 THR HA H 54 4.553 4.553 4.750 -0.197 19331 237 1 1 . 1 1 54 54 THR C C 54 174.229 174.229 173.565 0.664 19331 238 1 1 . 1 1 54 54 THR CA C 54 63.789 63.789 61.042 2.747 19331 239 1 1 . 1 1 54 54 THR CB C 54 69.491 69.491 69.611 -0.120 19331 240 1 1 . 1 1 54 54 THR H H 54 9.129 9.129 8.367 0.762 19331 241 1 1 . 1 1 55 55 GLN N N 55 117.684 117.684 121.455 -3.771 19331 242 1 1 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.516 0.268 19331 243 1 1 . 1 1 55 55 GLN C C 55 176.124 176.124 176.006 0.118 19331 244 1 1 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.271 -0.206 19331 245 1 1 . 1 1 55 55 GLN CB C 55 31.444 31.444 29.474 1.970 19331 246 1 1 . 1 1 55 55 GLN H H 55 7.563 7.563 8.067 -0.504 19331 247 1 1 . 1 1 56 56 LYS N N 56 127.497 127.497 125.926 1.571 19331 248 1 1 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.316 -0.525 19331 249 1 1 . 1 1 56 56 LYS C C 56 178.179 178.179 177.844 0.335 19331 250 1 1 . 1 1 56 56 LYS CA C 56 59.297 59.297 58.904 0.393 19331 251 1 1 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.324 0.410 19331 252 1 1 . 1 1 56 56 LYS H H 56 8.680 8.680 8.524 0.156 19331 253 1 1 . 1 1 57 57 GLY N N 57 105.111 105.111 107.375 -2.264 19331 254 1 1 . 1 1 57 57 GLY C C 57 176.204 176.204 176.139 0.065 19331 255 1 1 . 1 1 57 57 GLY CA C 57 47.070 47.070 46.900 0.170 19331 256 1 1 . 1 1 57 57 GLY H H 57 8.900 8.900 8.497 0.403 19331 257 1 1 . 1 1 58 58 ASN N N 58 117.732 117.732 119.991 -2.259 19331 258 1 1 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.490 -0.042 19331 259 1 1 . 1 1 58 58 ASN C C 58 177.325 177.325 176.939 0.386 19331 260 1 1 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.324 -0.412 19331 261 1 1 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.829 -0.367 19331 262 1 1 . 1 1 58 58 ASN H H 58 6.958 6.958 8.021 -1.063 19331 263 1 1 . 1 1 59 59 LEU N N 59 123.027 123.027 122.101 0.926 19331 264 1 1 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.567 -0.441 19331 265 1 1 . 1 1 59 59 LEU C C 59 177.352 177.352 178.066 -0.714 19331 266 1 1 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.499 0.160 19331 267 1 1 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.643 -1.733 19331 268 1 1 . 1 1 59 59 LEU H H 59 6.885 6.885 7.415 -0.530 19331 269 1 1 . 1 1 60 60 LEU N N 60 117.860 117.860 117.211 0.649 19331 270 1 1 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.897 -0.001 19331 271 1 1 . 1 1 60 60 LEU C C 60 179.669 179.669 178.922 0.747 19331 272 1 1 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.807 0.331 19331 273 1 1 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.453 -0.821 19331 274 1 1 . 1 1 60 60 LEU H H 60 8.078 8.078 8.284 -0.206 19331 275 1 1 . 1 1 61 61 ARG N N 61 117.382 117.382 117.517 -0.135 19331 276 1 1 . 1 1 61 61 ARG HA H 61 3.928 3.928 4.066 -0.138 19331 277 1 1 . 1 1 61 61 ARG C C 61 177.752 177.752 178.019 -0.267 19331 278 1 1 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.503 0.755 19331 279 1 1 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.846 0.500 19331 280 1 1 . 1 1 61 61 ARG H H 61 7.414 7.414 7.332 0.082 19331 281 1 1 . 1 1 62 62 HIS N N 62 119.118 119.118 121.625 -2.507 19331 282 1 1 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.146 -0.035 19331 283 1 1 . 1 1 62 62 HIS C C 62 176.978 176.978 177.298 -0.320 19331 284 1 1 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.869 -0.303 19331 285 1 1 . 1 1 62 62 HIS CB C 62 28.558 28.558 29.765 -1.207 19331 286 1 1 . 1 1 62 62 HIS H H 62 7.360 7.360 8.014 -0.654 19331 287 1 1 . 1 1 63 63 ILE N N 63 116.662 116.662 114.698 1.964 19331 288 1 1 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.034 -0.365 19331 289 1 1 . 1 1 63 63 ILE C C 63 178.526 178.526 177.002 1.524 19331 290 1 1 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.124 1.751 19331 291 1 1 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.958 0.127 19331 292 1 1 . 1 1 63 63 ILE H H 63 8.500 8.500 7.844 0.656 19331 293 1 1 . 1 1 64 64 LYS N N 64 119.456 119.456 120.924 -1.468 19331 294 1 1 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.087 -0.019 19331 295 1 1 . 1 1 64 64 LYS C C 64 178.553 178.553 179.012 -0.459 19331 296 1 1 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.116 -0.449 19331 297 1 1 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.602 -0.598 19331 298 1 1 . 1 1 64 64 LYS H H 64 7.174 7.174 7.419 -0.245 19331 299 1 1 . 1 1 65 65 LEU N N 65 118.539 118.539 118.068 0.471 19331 300 1 1 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.075 -0.011 19331 301 1 1 . 1 1 65 65 LEU C C 65 178.980 178.980 177.784 1.196 19331 302 1 1 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.393 0.214 19331 303 1 1 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.449 -0.472 19331 304 1 1 . 1 1 65 65 LEU H H 65 7.744 7.744 8.112 -0.368 19331 305 1 1 . 1 1 66 66 HIS N N 66 115.422 115.422 115.928 -0.506 19331 306 1 1 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.380 0.353 19331 307 1 1 . 1 1 66 66 HIS C C 66 175.671 175.671 176.279 -0.608 19331 308 1 1 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.374 -1.246 19331 309 1 1 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.064 -1.491 19331 310 1 1 . 1 1 66 66 HIS H H 66 7.357 7.357 7.431 -0.074 19331 311 1 1 . 1 1 67 67 SER N N 67 115.047 115.047 114.948 0.099 19331 312 1 1 . 1 1 67 67 SER HA H 67 4.459 4.459 4.543 -0.084 19331 313 1 1 . 1 1 67 67 SER C C 67 175.003 175.003 175.501 -0.498 19331 314 1 1 . 1 1 67 67 SER CA C 67 59.246 59.246 58.604 0.642 19331 315 1 1 . 1 1 67 67 SER CB C 67 63.693 63.693 64.093 -0.400 19331 316 1 1 . 1 1 67 67 SER H H 67 7.859 7.859 7.663 0.196 19331 317 1 1 . 1 1 68 68 GLY N N 68 110.437 110.437 108.912 1.525 19331 318 1 1 . 1 1 68 68 GLY C C 68 173.812 173.812 174.658 -0.846 19331 319 1 1 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.589 -0.282 19331 320 1 1 . 1 1 68 68 GLY H H 68 8.281 8.281 8.500 -0.219 19331 321 1 1 . 1 1 69 69 GLU N N 69 120.321 120.321 119.933 0.388 19331 322 1 1 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.377 -0.097 19331 323 1 1 . 1 1 69 69 GLU C C 69 176.124 176.124 175.864 0.260 19331 324 1 1 . 1 1 69 69 GLU CA C 69 56.393 56.393 56.049 0.344 19331 325 1 1 . 1 1 69 69 GLU CB C 69 30.396 30.396 30.647 -0.251 19331 326 1 1 . 1 1 69 69 GLU H H 69 8.069 8.069 8.021 0.048 19331 327 1 1 . 1 1 70 70 LYS N N 70 123.278 123.278 118.043 5.235 19331 328 1 1 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.162 0.432 19331 329 1 1 . 1 1 70 70 LYS CA C 70 54.065 54.065 56.281 -2.216 19331 330 1 1 . 1 1 70 70 LYS CB C 70 32.557 32.557 31.831 0.727 19331 331 1 1 . 1 1 70 70 LYS H H 70 8.349 8.349 8.409 -0.060 19331 332 1 1 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.504 -0.113 19331 333 1 1 . 1 1 71 71 PRO C C 71 176.178 176.178 176.569 -0.391 19331 334 1 1 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.864 0.279 19331 335 1 1 . 1 1 71 71 PRO CB C 71 31.837 31.837 32.343 -0.506 19331 336 1 1 . 1 1 72 72 PHE N N 72 120.324 120.324 123.915 -3.591 19331 337 1 1 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.460 0.146 19331 338 1 1 . 1 1 72 72 PHE C C 72 174.546 174.546 175.032 -0.486 19331 339 1 1 . 1 1 72 72 PHE CA C 72 57.543 57.543 57.850 -0.307 19331 340 1 1 . 1 1 72 72 PHE CB C 72 39.501 39.501 38.901 0.600 19331 341 1 1 . 1 1 72 72 PHE H H 72 8.177 8.177 8.442 -0.265 19331 342 1 2 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.620 -0.360 19331 343 1 2 . 1 1 12 12 PRO C C 12 175.377 175.377 175.517 -0.140 19331 344 1 2 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.921 0.464 19331 345 1 2 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.386 -0.318 19331 346 1 2 . 1 1 13 13 ASN N N 13 123.885 123.885 119.579 4.306 19331 347 1 2 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.986 -0.522 19331 348 1 2 . 1 1 13 13 ASN C C 13 176.178 176.178 174.136 2.042 19331 349 1 2 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.574 2.260 19331 350 1 2 . 1 1 13 13 ASN CB C 13 41.005 41.005 40.433 0.572 19331 351 1 2 . 1 1 13 13 ASN H H 13 8.001 8.001 8.595 -0.594 19331 352 1 2 . 1 1 14 14 GLY N N 14 113.831 113.831 107.571 6.260 19331 353 1 2 . 1 1 14 14 GLY C C 14 174.152 174.152 173.204 0.948 19331 354 1 2 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.205 0.160 19331 355 1 2 . 1 1 14 14 GLY H H 14 8.367 8.367 8.098 0.269 19331 356 1 2 . 1 1 15 15 LYS N N 15 119.903 119.903 118.081 1.822 19331 357 1 2 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.118 0.179 19331 358 1 2 . 1 1 15 15 LYS C C 15 176.217 176.217 175.549 0.668 19331 359 1 2 . 1 1 15 15 LYS CA C 15 56.921 56.921 56.314 0.607 19331 360 1 2 . 1 1 15 15 LYS CB C 15 32.804 32.804 31.648 1.156 19331 361 1 2 . 1 1 15 15 LYS H H 15 8.200 8.200 8.202 -0.002 19331 362 1 2 . 1 1 16 16 LEU N N 16 122.670 122.670 122.281 0.389 19331 363 1 2 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.278 0.176 19331 364 1 2 . 1 1 16 16 LEU C C 16 173.805 173.805 176.732 -2.927 19331 365 1 2 . 1 1 16 16 LEU CA C 16 55.080 55.080 55.030 0.050 19331 366 1 2 . 1 1 16 16 LEU CB C 16 41.852 41.852 39.591 2.261 19331 367 1 2 . 1 1 16 16 LEU H H 16 8.394 8.394 8.022 0.372 19331 368 1 2 . 1 1 17 17 LYS N N 17 120.445 120.445 125.936 -5.491 19331 369 1 2 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.544 0.333 19331 370 1 2 . 1 1 17 17 LYS C C 17 175.777 175.777 175.064 0.713 19331 371 1 2 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.579 -1.090 19331 372 1 2 . 1 1 17 17 LYS CB C 17 35.154 35.154 34.519 0.635 19331 373 1 2 . 1 1 17 17 LYS H H 17 8.026 8.026 8.221 -0.195 19331 374 1 2 . 1 1 18 18 CYS N N 18 127.176 127.176 121.966 5.210 19331 375 1 2 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.647 -0.420 19331 376 1 2 . 1 1 18 18 CYS C C 18 176.551 176.551 173.942 2.609 19331 377 1 2 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.084 2.594 19331 378 1 2 . 1 1 18 18 CYS CB C 18 29.821 29.821 28.112 1.709 19331 379 1 2 . 1 1 18 18 CYS H H 18 9.071 9.071 8.614 0.457 19331 380 1 2 . 1 1 19 19 ASP N N 19 130.419 130.419 122.802 7.617 19331 381 1 2 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.655 -0.291 19331 382 1 2 . 1 1 19 19 ASP C C 19 175.433 175.433 175.413 0.020 19331 383 1 2 . 1 1 19 19 ASP CA C 19 55.671 55.671 53.853 1.818 19331 384 1 2 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.148 -1.535 19331 385 1 2 . 1 1 19 19 ASP H H 19 9.137 9.137 8.379 0.758 19331 386 1 2 . 1 1 20 20 VAL N N 20 123.067 123.067 123.289 -0.222 19331 387 1 2 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.347 -0.525 19331 388 1 2 . 1 1 20 20 VAL C C 20 177.009 177.009 175.321 1.688 19331 389 1 2 . 1 1 20 20 VAL CA C 20 65.362 65.362 62.010 3.352 19331 390 1 2 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.291 0.679 19331 391 1 2 . 1 1 20 20 VAL H H 20 9.022 9.022 8.649 0.373 19331 392 1 2 . 1 1 21 21 CYS N N 21 115.484 115.484 124.963 -9.479 19331 393 1 2 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.766 0.349 19331 394 1 2 . 1 1 21 21 CYS C C 21 176.178 176.178 175.417 0.761 19331 395 1 2 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.462 -0.395 19331 396 1 2 . 1 1 21 21 CYS CB C 21 33.096 33.096 29.072 4.024 19331 397 1 2 . 1 1 21 21 CYS H H 21 8.092 8.092 8.537 -0.445 19331 398 1 2 . 1 1 22 22 GLY N N 22 113.222 113.222 112.934 0.288 19331 399 1 2 . 1 1 22 22 GLY C C 22 173.028 173.028 174.055 -1.027 19331 400 1 2 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.745 0.996 19331 401 1 2 . 1 1 22 22 GLY H H 22 7.931 7.931 8.328 -0.397 19331 402 1 2 . 1 1 23 23 MET N N 23 122.930 122.930 121.335 1.595 19331 403 1 2 . 1 1 23 23 MET HA H 23 4.075 4.075 4.615 -0.540 19331 404 1 2 . 1 1 23 23 MET C C 23 174.950 174.950 175.677 -0.727 19331 405 1 2 . 1 1 23 23 MET CA C 23 57.226 57.226 55.589 1.637 19331 406 1 2 . 1 1 23 23 MET CB C 23 33.750 33.750 32.123 1.627 19331 407 1 2 . 1 1 23 23 MET H H 23 8.276 8.276 7.746 0.530 19331 408 1 2 . 1 1 24 24 VAL N N 24 126.800 126.800 121.540 5.260 19331 409 1 2 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.412 -0.082 19331 410 1 2 . 1 1 24 24 VAL C C 24 176.124 176.124 175.475 0.649 19331 411 1 2 . 1 1 24 24 VAL CA C 24 62.581 62.581 60.910 1.671 19331 412 1 2 . 1 1 24 24 VAL CB C 24 31.843 31.843 33.230 -1.387 19331 413 1 2 . 1 1 24 24 VAL H H 24 8.466 8.466 8.202 0.264 19331 414 1 2 . 1 1 25 25 CYS N N 25 125.377 125.377 123.442 1.935 19331 415 1 2 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.770 -0.041 19331 416 1 2 . 1 1 25 25 CYS C C 25 173.829 173.829 174.281 -0.452 19331 417 1 2 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.718 -1.208 19331 418 1 2 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.276 3.373 19331 419 1 2 . 1 1 25 25 CYS H H 25 8.720 8.720 8.369 0.351 19331 420 1 2 . 1 1 26 26 ILE N N 26 119.435 119.435 123.971 -4.536 19331 421 1 2 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.379 -0.209 19331 422 1 2 . 1 1 26 26 ILE C C 26 175.334 175.334 174.755 0.579 19331 423 1 2 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.913 0.033 19331 424 1 2 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.831 -1.961 19331 425 1 2 . 1 1 26 26 ILE H H 26 8.407 8.407 8.368 0.039 19331 426 1 2 . 1 1 27 27 GLY N N 27 109.455 109.455 114.788 -5.333 19331 427 1 2 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.946 -0.348 19331 428 1 2 . 1 1 27 27 GLY H H 27 7.444 7.444 8.307 -0.863 19331 429 1 2 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.521 -0.341 19331 430 1 2 . 1 1 28 28 PRO C C 28 178.526 178.526 176.679 1.847 19331 431 1 2 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.212 2.802 19331 432 1 2 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.311 -0.563 19331 433 1 2 . 1 1 29 29 ASN N N 29 118.871 118.871 124.862 -5.991 19331 434 1 2 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.735 -0.161 19331 435 1 2 . 1 1 29 29 ASN C C 29 176.925 176.925 175.877 1.048 19331 436 1 2 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.097 4.357 19331 437 1 2 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.766 -0.285 19331 438 1 2 . 1 1 29 29 ASN H H 29 8.722 8.722 8.751 -0.029 19331 439 1 2 . 1 1 30 30 VAL N N 30 120.904 120.904 123.467 -2.563 19331 440 1 2 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.856 -0.139 19331 441 1 2 . 1 1 30 30 VAL C C 30 178.526 178.526 176.995 1.531 19331 442 1 2 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.190 1.691 19331 443 1 2 . 1 1 30 30 VAL CB C 30 31.840 31.840 32.284 -0.444 19331 444 1 2 . 1 1 30 30 VAL H H 30 7.475 7.475 7.643 -0.168 19331 445 1 2 . 1 1 31 31 LEU N N 31 120.665 120.665 121.241 -0.576 19331 446 1 2 . 1 1 31 31 LEU HA H 31 4.467 4.467 3.913 0.554 19331 447 1 2 . 1 1 31 31 LEU C C 31 177.379 177.379 178.399 -1.020 19331 448 1 2 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.989 0.113 19331 449 1 2 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.741 -0.374 19331 450 1 2 . 1 1 31 31 LEU H H 31 7.853 7.853 7.743 0.110 19331 451 1 2 . 1 1 32 32 MET N N 32 117.671 117.671 118.042 -0.371 19331 452 1 2 . 1 1 32 32 MET HA H 32 4.099 4.099 4.092 0.007 19331 453 1 2 . 1 1 32 32 MET C C 32 178.927 178.927 178.396 0.531 19331 454 1 2 . 1 1 32 32 MET CA C 32 59.015 59.015 59.005 0.010 19331 455 1 2 . 1 1 32 32 MET CB C 32 32.105 32.105 32.589 -0.484 19331 456 1 2 . 1 1 32 32 MET H H 32 7.974 7.974 7.968 0.006 19331 457 1 2 . 1 1 33 33 VAL N N 33 119.384 119.384 117.448 1.936 19331 458 1 2 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.670 -0.128 19331 459 1 2 . 1 1 33 33 VAL C C 33 179.275 179.275 178.559 0.716 19331 460 1 2 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.330 0.323 19331 461 1 2 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.384 0.431 19331 462 1 2 . 1 1 33 33 VAL H H 33 7.747 7.747 7.590 0.157 19331 463 1 2 . 1 1 34 34 HIS N N 34 120.938 120.938 119.877 1.061 19331 464 1 2 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.296 -0.076 19331 465 1 2 . 1 1 34 34 HIS C C 34 178.486 178.486 176.959 1.527 19331 466 1 2 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.618 0.180 19331 467 1 2 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.972 -1.936 19331 468 1 2 . 1 1 34 34 HIS H H 34 8.664 8.664 8.195 0.469 19331 469 1 2 . 1 1 35 35 LYS N N 35 119.725 119.725 119.126 0.599 19331 470 1 2 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.143 -0.427 19331 471 1 2 . 1 1 35 35 LYS C C 35 178.526 178.526 178.554 -0.028 19331 472 1 2 . 1 1 35 35 LYS CA C 35 60.666 60.666 57.800 2.866 19331 473 1 2 . 1 1 35 35 LYS CB C 35 31.428 31.428 31.784 -0.356 19331 474 1 2 . 1 1 35 35 LYS H H 35 9.034 9.034 8.092 0.942 19331 475 1 2 . 1 1 36 36 ARG N N 36 118.491 118.491 117.630 0.861 19331 476 1 2 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.178 -0.029 19331 477 1 2 . 1 1 36 36 ARG C C 36 177.752 177.752 178.700 -0.948 19331 478 1 2 . 1 1 36 36 ARG CA C 36 58.107 58.107 57.897 0.210 19331 479 1 2 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.379 0.335 19331 480 1 2 . 1 1 36 36 ARG H H 36 7.458 7.458 7.631 -0.173 19331 481 1 2 . 1 1 37 37 SER N N 37 113.811 113.811 114.196 -0.385 19331 482 1 2 . 1 1 37 37 SER HA H 37 4.202 4.202 4.223 -0.021 19331 483 1 2 . 1 1 37 37 SER C C 37 174.576 174.576 175.276 -0.700 19331 484 1 2 . 1 1 37 37 SER CA C 37 60.412 60.412 60.858 -0.446 19331 485 1 2 . 1 1 37 37 SER CB C 37 62.129 62.129 63.108 -0.980 19331 486 1 2 . 1 1 37 37 SER H H 37 7.771 7.771 7.644 0.127 19331 487 1 2 . 1 1 38 38 HIS N N 38 118.829 118.829 118.956 -0.127 19331 488 1 2 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.333 0.661 19331 489 1 2 . 1 1 38 38 HIS C C 38 174.977 174.977 176.967 -1.990 19331 490 1 2 . 1 1 38 38 HIS CA C 38 54.798 54.798 58.648 -3.850 19331 491 1 2 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.216 -1.899 19331 492 1 2 . 1 1 38 38 HIS H H 38 7.265 7.265 7.521 -0.256 19331 493 1 2 . 1 1 39 39 THR N N 39 113.289 113.289 114.413 -1.124 19331 494 1 2 . 1 1 39 39 THR HA H 39 4.353 4.353 3.946 0.407 19331 495 1 2 . 1 1 39 39 THR C C 39 174.977 174.977 175.306 -0.329 19331 496 1 2 . 1 1 39 39 THR CA C 39 62.252 62.252 65.848 -3.596 19331 497 1 2 . 1 1 39 39 THR CB C 39 69.773 69.773 69.337 0.436 19331 498 1 2 . 1 1 39 39 THR H H 39 7.814 7.814 7.725 0.089 19331 499 1 2 . 1 1 40 40 GLY N N 40 110.879 110.879 110.037 0.842 19331 500 1 2 . 1 1 40 40 GLY C C 40 173.802 173.802 174.084 -0.282 19331 501 1 2 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.890 -0.717 19331 502 1 2 . 1 1 40 40 GLY H H 40 8.425 8.425 7.798 0.627 19331 503 1 2 . 1 1 41 41 GLU N N 41 120.081 120.081 125.894 -5.813 19331 504 1 2 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.248 -0.026 19331 505 1 2 . 1 1 41 41 GLU C C 41 176.151 176.151 175.565 0.586 19331 506 1 2 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.498 0.212 19331 507 1 2 . 1 1 41 41 GLU CB C 41 30.550 30.550 29.627 0.923 19331 508 1 2 . 1 1 41 41 GLU H H 41 8.127 8.127 8.065 0.062 19331 509 1 2 . 1 1 42 42 ARG N N 42 121.379 121.379 123.659 -2.280 19331 510 1 2 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.580 -0.050 19331 511 1 2 . 1 1 42 42 ARG CA C 42 53.378 53.378 52.440 0.938 19331 512 1 2 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.044 -0.019 19331 513 1 2 . 1 1 42 42 ARG H H 42 8.370 8.370 7.804 0.566 19331 514 1 2 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.386 -0.126 19331 515 1 2 . 1 1 43 43 PRO C C 43 176.151 176.151 175.960 0.191 19331 516 1 2 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.832 0.820 19331 517 1 2 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.673 0.396 19331 518 1 2 . 1 1 44 44 PHE N N 44 116.589 116.589 125.756 -9.167 19331 519 1 2 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.452 0.393 19331 520 1 2 . 1 1 44 44 PHE C C 44 174.603 174.603 175.576 -0.973 19331 521 1 2 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.449 -0.369 19331 522 1 2 . 1 1 44 44 PHE CB C 44 39.654 39.654 37.704 1.950 19331 523 1 2 . 1 1 44 44 PHE H H 44 7.659 7.659 8.332 -0.673 19331 524 1 2 . 1 1 45 45 HIS N N 45 121.791 121.791 124.524 -2.733 19331 525 1 2 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.773 0.518 19331 526 1 2 . 1 1 45 45 HIS C C 45 172.655 172.655 174.745 -2.090 19331 527 1 2 . 1 1 45 45 HIS CA C 45 54.560 54.560 56.025 -1.464 19331 528 1 2 . 1 1 45 45 HIS CB C 45 31.774 31.774 31.340 0.434 19331 529 1 2 . 1 1 45 45 HIS H H 45 9.070 9.070 8.319 0.751 19331 530 1 2 . 1 1 46 46 CYS N N 46 125.392 125.392 128.208 -2.816 19331 531 1 2 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.432 0.110 19331 532 1 2 . 1 1 46 46 CYS C C 46 176.525 176.525 174.561 1.964 19331 533 1 2 . 1 1 46 46 CYS CA C 46 59.233 59.233 57.858 1.375 19331 534 1 2 . 1 1 46 46 CYS CB C 46 29.948 29.948 26.093 3.855 19331 535 1 2 . 1 1 46 46 CYS H H 46 9.189 9.189 8.386 0.803 19331 536 1 2 . 1 1 47 47 ASN N N 47 128.827 128.827 129.762 -0.935 19331 537 1 2 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.850 -0.153 19331 538 1 2 . 1 1 47 47 ASN C C 47 175.433 175.433 174.663 0.770 19331 539 1 2 . 1 1 47 47 ASN CA C 47 54.982 54.982 54.361 0.621 19331 540 1 2 . 1 1 47 47 ASN CB C 47 38.237 38.237 37.345 0.892 19331 541 1 2 . 1 1 47 47 ASN H H 47 9.302 9.302 8.896 0.406 19331 542 1 2 . 1 1 48 48 GLN N N 48 120.952 120.952 120.561 0.391 19331 543 1 2 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.322 -0.015 19331 544 1 2 . 1 1 48 48 GLN C C 48 176.151 176.151 175.758 0.393 19331 545 1 2 . 1 1 48 48 GLN CA C 48 57.832 57.832 56.970 0.862 19331 546 1 2 . 1 1 48 48 GLN CB C 48 29.163 29.163 29.245 -0.082 19331 547 1 2 . 1 1 48 48 GLN H H 48 9.139 9.139 8.535 0.604 19331 548 1 2 . 1 1 49 49 CYS N N 49 116.176 116.176 117.220 -1.044 19331 549 1 2 . 1 1 49 49 CYS HA H 49 5.149 5.149 5.199 -0.050 19331 550 1 2 . 1 1 49 49 CYS C C 49 175.430 175.430 176.415 -0.985 19331 551 1 2 . 1 1 49 49 CYS CA C 49 58.349 58.349 58.584 -0.235 19331 552 1 2 . 1 1 49 49 CYS CB C 49 32.264 32.264 31.352 0.912 19331 553 1 2 . 1 1 49 49 CYS H H 49 8.117 8.117 8.053 0.064 19331 554 1 2 . 1 1 50 50 GLY N N 50 111.724 111.724 109.943 1.781 19331 555 1 2 . 1 1 50 50 GLY C C 50 173.758 173.758 173.806 -0.048 19331 556 1 2 . 1 1 50 50 GLY CA C 50 45.891 45.891 44.897 0.994 19331 557 1 2 . 1 1 50 50 GLY H H 50 8.142 8.142 8.095 0.047 19331 558 1 2 . 1 1 51 51 ALA N N 51 126.041 126.041 123.272 2.769 19331 559 1 2 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.157 -0.070 19331 560 1 2 . 1 1 51 51 ALA C C 51 175.350 175.350 175.448 -0.098 19331 561 1 2 . 1 1 51 51 ALA CA C 51 53.505 53.505 52.152 1.353 19331 562 1 2 . 1 1 51 51 ALA CB C 51 19.611 19.611 19.490 0.121 19331 563 1 2 . 1 1 51 51 ALA H H 51 8.420 8.420 7.309 1.111 19331 564 1 2 . 1 1 52 52 SER N N 52 113.511 113.511 115.427 -1.916 19331 565 1 2 . 1 1 52 52 SER HA H 52 5.255 5.255 4.381 0.874 19331 566 1 2 . 1 1 52 52 SER C C 52 173.002 173.002 172.907 0.095 19331 567 1 2 . 1 1 52 52 SER CA C 52 56.680 56.680 55.962 0.718 19331 568 1 2 . 1 1 52 52 SER CB C 52 65.958 65.958 64.578 1.380 19331 569 1 2 . 1 1 52 52 SER H H 52 7.829 7.829 7.928 -0.099 19331 570 1 2 . 1 1 53 53 PHE N N 53 117.376 117.376 125.044 -7.668 19331 571 1 2 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.946 -0.068 19331 572 1 2 . 1 1 53 53 PHE C C 53 174.977 174.977 175.765 -0.788 19331 573 1 2 . 1 1 53 53 PHE CA C 53 57.556 57.556 56.521 1.035 19331 574 1 2 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.004 1.870 19331 575 1 2 . 1 1 53 53 PHE H H 53 8.802 8.802 8.300 0.502 19331 576 1 2 . 1 1 54 54 THR N N 54 114.290 114.290 113.487 0.803 19331 577 1 2 . 1 1 54 54 THR HA H 54 4.553 4.553 4.629 -0.076 19331 578 1 2 . 1 1 54 54 THR C C 54 174.229 174.229 173.894 0.335 19331 579 1 2 . 1 1 54 54 THR CA C 54 63.789 63.789 61.786 2.003 19331 580 1 2 . 1 1 54 54 THR CB C 54 69.491 69.491 69.412 0.079 19331 581 1 2 . 1 1 54 54 THR H H 54 9.129 9.129 8.370 0.759 19331 582 1 2 . 1 1 55 55 GLN N N 55 117.684 117.684 121.127 -3.443 19331 583 1 2 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.604 0.180 19331 584 1 2 . 1 1 55 55 GLN C C 55 176.124 176.124 175.889 0.235 19331 585 1 2 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.814 -0.749 19331 586 1 2 . 1 1 55 55 GLN CB C 55 31.444 31.444 29.473 1.971 19331 587 1 2 . 1 1 55 55 GLN H H 55 7.563 7.563 8.153 -0.590 19331 588 1 2 . 1 1 56 56 LYS N N 56 127.497 127.497 125.482 2.015 19331 589 1 2 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.774 -0.983 19331 590 1 2 . 1 1 56 56 LYS C C 56 178.179 178.179 178.340 -0.161 19331 591 1 2 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.231 0.066 19331 592 1 2 . 1 1 56 56 LYS CB C 56 31.734 31.734 32.061 -0.327 19331 593 1 2 . 1 1 56 56 LYS H H 56 8.680 8.680 8.816 -0.136 19331 594 1 2 . 1 1 57 57 GLY N N 57 105.111 105.111 107.956 -2.845 19331 595 1 2 . 1 1 57 57 GLY C C 57 176.204 176.204 175.981 0.223 19331 596 1 2 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.261 -0.191 19331 597 1 2 . 1 1 57 57 GLY H H 57 8.900 8.900 8.546 0.354 19331 598 1 2 . 1 1 58 58 ASN N N 58 117.732 117.732 119.010 -1.278 19331 599 1 2 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.503 -0.055 19331 600 1 2 . 1 1 58 58 ASN C C 58 177.325 177.325 176.676 0.649 19331 601 1 2 . 1 1 58 58 ASN CA C 58 54.912 54.912 54.585 0.327 19331 602 1 2 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.710 -0.248 19331 603 1 2 . 1 1 58 58 ASN H H 58 6.958 6.958 8.180 -1.222 19331 604 1 2 . 1 1 59 59 LEU N N 59 123.027 123.027 122.640 0.387 19331 605 1 2 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.789 -0.663 19331 606 1 2 . 1 1 59 59 LEU C C 59 177.352 177.352 177.778 -0.426 19331 607 1 2 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.954 -0.295 19331 608 1 2 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.882 -1.972 19331 609 1 2 . 1 1 59 59 LEU H H 59 6.885 6.885 7.635 -0.750 19331 610 1 2 . 1 1 60 60 LEU N N 60 117.860 117.860 116.499 1.361 19331 611 1 2 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.934 -0.038 19331 612 1 2 . 1 1 60 60 LEU C C 60 179.669 179.669 179.203 0.466 19331 613 1 2 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.640 0.498 19331 614 1 2 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.350 -0.718 19331 615 1 2 . 1 1 60 60 LEU H H 60 8.078 8.078 8.324 -0.246 19331 616 1 2 . 1 1 61 61 ARG N N 61 117.382 117.382 117.431 -0.049 19331 617 1 2 . 1 1 61 61 ARG HA H 61 3.928 3.928 4.034 -0.106 19331 618 1 2 . 1 1 61 61 ARG C C 61 177.752 177.752 178.283 -0.531 19331 619 1 2 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.454 0.804 19331 620 1 2 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.586 0.760 19331 621 1 2 . 1 1 61 61 ARG H H 61 7.414 7.414 7.726 -0.312 19331 622 1 2 . 1 1 62 62 HIS N N 62 119.118 119.118 120.789 -1.671 19331 623 1 2 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.312 -0.201 19331 624 1 2 . 1 1 62 62 HIS C C 62 176.978 176.978 177.639 -0.661 19331 625 1 2 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.315 0.251 19331 626 1 2 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.266 -1.708 19331 627 1 2 . 1 1 62 62 HIS H H 62 7.360 7.360 7.528 -0.168 19331 628 1 2 . 1 1 63 63 ILE N N 63 116.662 116.662 114.839 1.823 19331 629 1 2 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.480 -0.811 19331 630 1 2 . 1 1 63 63 ILE C C 63 178.526 178.526 177.719 0.807 19331 631 1 2 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.177 1.698 19331 632 1 2 . 1 1 63 63 ILE CB C 63 38.085 38.085 38.134 -0.049 19331 633 1 2 . 1 1 63 63 ILE H H 63 8.500 8.500 8.531 -0.031 19331 634 1 2 . 1 1 64 64 LYS N N 64 119.456 119.456 121.219 -1.763 19331 635 1 2 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.102 -0.034 19331 636 1 2 . 1 1 64 64 LYS C C 64 178.553 178.553 178.111 0.442 19331 637 1 2 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.003 -0.336 19331 638 1 2 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.278 -0.274 19331 639 1 2 . 1 1 64 64 LYS H H 64 7.174 7.174 7.652 -0.478 19331 640 1 2 . 1 1 65 65 LEU N N 65 118.539 118.539 117.791 0.748 19331 641 1 2 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.020 0.044 19331 642 1 2 . 1 1 65 65 LEU C C 65 178.980 178.980 177.687 1.293 19331 643 1 2 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.203 0.404 19331 644 1 2 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.560 -0.583 19331 645 1 2 . 1 1 65 65 LEU H H 65 7.744 7.744 7.247 0.497 19331 646 1 2 . 1 1 66 66 HIS N N 66 115.422 115.422 116.135 -0.713 19331 647 1 2 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.765 -0.032 19331 648 1 2 . 1 1 66 66 HIS C C 66 175.671 175.671 174.707 0.964 19331 649 1 2 . 1 1 66 66 HIS CA C 66 56.128 56.128 54.608 1.520 19331 650 1 2 . 1 1 66 66 HIS CB C 66 28.573 28.573 28.815 -0.242 19331 651 1 2 . 1 1 66 66 HIS H H 66 7.357 7.357 7.341 0.016 19331 652 1 2 . 1 1 67 67 SER N N 67 115.047 115.047 113.474 1.573 19331 653 1 2 . 1 1 67 67 SER HA H 67 4.459 4.459 4.154 0.305 19331 654 1 2 . 1 1 67 67 SER C C 67 175.003 175.003 175.190 -0.187 19331 655 1 2 . 1 1 67 67 SER CA C 67 59.246 59.246 58.719 0.527 19331 656 1 2 . 1 1 67 67 SER CB C 67 63.693 63.693 62.974 0.719 19331 657 1 2 . 1 1 67 67 SER H H 67 7.859 7.859 7.473 0.386 19331 658 1 2 . 1 1 68 68 GLY N N 68 110.437 110.437 106.680 3.757 19331 659 1 2 . 1 1 68 68 GLY C C 68 173.812 173.812 174.978 -1.166 19331 660 1 2 . 1 1 68 68 GLY CA C 68 45.307 45.307 46.409 -1.102 19331 661 1 2 . 1 1 68 68 GLY H H 68 8.281 8.281 8.605 -0.324 19331 662 1 2 . 1 1 69 69 GLU N N 69 120.321 120.321 120.360 -0.039 19331 663 1 2 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.446 -0.166 19331 664 1 2 . 1 1 69 69 GLU C C 69 176.124 176.124 175.462 0.662 19331 665 1 2 . 1 1 69 69 GLU CA C 69 56.393 56.393 55.804 0.589 19331 666 1 2 . 1 1 69 69 GLU CB C 69 30.396 30.396 28.028 2.368 19331 667 1 2 . 1 1 69 69 GLU H H 69 8.069 8.069 8.404 -0.335 19331 668 1 2 . 1 1 70 70 LYS N N 70 123.278 123.278 123.707 -0.429 19331 669 1 2 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.721 -0.127 19331 670 1 2 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.306 0.759 19331 671 1 2 . 1 1 70 70 LYS CB C 70 32.557 32.557 32.649 -0.092 19331 672 1 2 . 1 1 70 70 LYS H H 70 8.349 8.349 7.733 0.616 19331 673 1 2 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.599 -0.208 19331 674 1 2 . 1 1 71 71 PRO C C 71 176.178 176.178 175.756 0.422 19331 675 1 2 . 1 1 71 71 PRO CA C 71 63.143 63.143 63.248 -0.105 19331 676 1 2 . 1 1 71 71 PRO CB C 71 31.837 31.837 32.099 -0.262 19331 677 1 2 . 1 1 72 72 PHE N N 72 120.324 120.324 122.827 -2.503 19331 678 1 2 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.704 -0.098 19331 679 1 2 . 1 1 72 72 PHE C C 72 174.546 174.546 174.067 0.479 19331 680 1 2 . 1 1 72 72 PHE CA C 72 57.543 57.543 58.735 -1.192 19331 681 1 2 . 1 1 72 72 PHE CB C 72 39.501 39.501 40.865 -1.364 19331 682 1 2 . 1 1 72 72 PHE H H 72 8.177 8.177 8.659 -0.482 19331 683 1 3 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.647 -0.387 19331 684 1 3 . 1 1 12 12 PRO C C 12 175.377 175.377 176.104 -0.727 19331 685 1 3 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.689 0.696 19331 686 1 3 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.527 -0.458 19331 687 1 3 . 1 1 13 13 ASN N N 13 123.885 123.885 120.209 3.676 19331 688 1 3 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.654 -0.190 19331 689 1 3 . 1 1 13 13 ASN C C 13 176.178 176.178 175.322 0.856 19331 690 1 3 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.826 2.008 19331 691 1 3 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.042 1.963 19331 692 1 3 . 1 1 13 13 ASN H H 13 8.001 8.001 8.537 -0.536 19331 693 1 3 . 1 1 14 14 GLY N N 14 113.831 113.831 108.277 5.554 19331 694 1 3 . 1 1 14 14 GLY C C 14 174.152 174.152 173.371 0.781 19331 695 1 3 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.306 0.059 19331 696 1 3 . 1 1 14 14 GLY H H 14 8.367 8.367 8.426 -0.059 19331 697 1 3 . 1 1 15 15 LYS N N 15 119.903 119.903 125.018 -5.115 19331 698 1 3 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.544 -0.247 19331 699 1 3 . 1 1 15 15 LYS C C 15 176.217 176.217 175.995 0.222 19331 700 1 3 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.919 1.002 19331 701 1 3 . 1 1 15 15 LYS CB C 15 32.804 32.804 33.577 -0.773 19331 702 1 3 . 1 1 15 15 LYS H H 15 8.200 8.200 8.101 0.099 19331 703 1 3 . 1 1 16 16 LEU N N 16 122.670 122.670 126.528 -3.858 19331 704 1 3 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.433 0.021 19331 705 1 3 . 1 1 16 16 LEU C C 16 173.805 173.805 176.663 -2.858 19331 706 1 3 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.118 0.962 19331 707 1 3 . 1 1 16 16 LEU CB C 16 41.852 41.852 42.290 -0.438 19331 708 1 3 . 1 1 16 16 LEU H H 16 8.394 8.394 8.599 -0.205 19331 709 1 3 . 1 1 17 17 LYS N N 17 120.445 120.445 126.466 -6.021 19331 710 1 3 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.322 0.555 19331 711 1 3 . 1 1 17 17 LYS C C 17 175.777 175.777 176.142 -0.365 19331 712 1 3 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.950 -1.461 19331 713 1 3 . 1 1 17 17 LYS CB C 17 35.154 35.154 31.131 4.023 19331 714 1 3 . 1 1 17 17 LYS H H 17 8.026 8.026 8.752 -0.726 19331 715 1 3 . 1 1 18 18 CYS N N 18 127.176 127.176 124.314 2.862 19331 716 1 3 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.704 -0.477 19331 717 1 3 . 1 1 18 18 CYS C C 18 176.551 176.551 174.411 2.140 19331 718 1 3 . 1 1 18 18 CYS CA C 18 60.677 60.677 57.400 3.277 19331 719 1 3 . 1 1 18 18 CYS CB C 18 29.821 29.821 27.963 1.858 19331 720 1 3 . 1 1 18 18 CYS H H 18 9.071 9.071 8.249 0.822 19331 721 1 3 . 1 1 19 19 ASP N N 19 130.419 130.419 126.411 4.008 19331 722 1 3 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.660 -0.296 19331 723 1 3 . 1 1 19 19 ASP C C 19 175.433 175.433 175.439 -0.006 19331 724 1 3 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.089 1.582 19331 725 1 3 . 1 1 19 19 ASP CB C 19 39.613 39.613 42.098 -2.485 19331 726 1 3 . 1 1 19 19 ASP H H 19 9.137 9.137 8.568 0.569 19331 727 1 3 . 1 1 20 20 VAL N N 20 123.067 123.067 123.799 -0.732 19331 728 1 3 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.343 -0.521 19331 729 1 3 . 1 1 20 20 VAL C C 20 177.009 177.009 175.780 1.229 19331 730 1 3 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.737 3.625 19331 731 1 3 . 1 1 20 20 VAL CB C 20 32.970 32.970 33.108 -0.138 19331 732 1 3 . 1 1 20 20 VAL H H 20 9.022 9.022 8.371 0.651 19331 733 1 3 . 1 1 21 21 CYS N N 21 115.484 115.484 128.138 -12.654 19331 734 1 3 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.691 0.424 19331 735 1 3 . 1 1 21 21 CYS C C 21 176.178 176.178 174.721 1.457 19331 736 1 3 . 1 1 21 21 CYS CA C 21 58.067 58.067 57.673 0.394 19331 737 1 3 . 1 1 21 21 CYS CB C 21 33.096 33.096 26.635 6.461 19331 738 1 3 . 1 1 21 21 CYS H H 21 8.092 8.092 8.801 -0.709 19331 739 1 3 . 1 1 22 22 GLY N N 22 113.222 113.222 113.551 -0.329 19331 740 1 3 . 1 1 22 22 GLY C C 22 173.028 173.028 173.385 -0.357 19331 741 1 3 . 1 1 22 22 GLY CA C 22 45.741 45.741 45.264 0.477 19331 742 1 3 . 1 1 22 22 GLY H H 22 7.931 7.931 8.729 -0.798 19331 743 1 3 . 1 1 23 23 MET N N 23 122.930 122.930 122.173 0.757 19331 744 1 3 . 1 1 23 23 MET HA H 23 4.075 4.075 4.627 -0.552 19331 745 1 3 . 1 1 23 23 MET C C 23 174.950 174.950 175.474 -0.524 19331 746 1 3 . 1 1 23 23 MET CA C 23 57.226 57.226 55.030 2.196 19331 747 1 3 . 1 1 23 23 MET CB C 23 33.750 33.750 34.545 -0.795 19331 748 1 3 . 1 1 23 23 MET H H 23 8.276 8.276 7.848 0.428 19331 749 1 3 . 1 1 24 24 VAL N N 24 126.800 126.800 120.106 6.694 19331 750 1 3 . 1 1 24 24 VAL HA H 24 4.330 4.330 3.862 0.468 19331 751 1 3 . 1 1 24 24 VAL C C 24 176.124 176.124 175.098 1.026 19331 752 1 3 . 1 1 24 24 VAL CA C 24 62.581 62.581 62.501 0.080 19331 753 1 3 . 1 1 24 24 VAL CB C 24 31.843 31.843 31.431 0.412 19331 754 1 3 . 1 1 24 24 VAL H H 24 8.466 8.466 8.185 0.281 19331 755 1 3 . 1 1 25 25 CYS N N 25 125.377 125.377 123.346 2.031 19331 756 1 3 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.461 0.268 19331 757 1 3 . 1 1 25 25 CYS C C 25 173.829 173.829 174.847 -1.018 19331 758 1 3 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.687 -1.177 19331 759 1 3 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.038 3.611 19331 760 1 3 . 1 1 25 25 CYS H H 25 8.720 8.720 8.237 0.483 19331 761 1 3 . 1 1 26 26 ILE N N 26 119.435 119.435 123.842 -4.407 19331 762 1 3 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.717 -0.547 19331 763 1 3 . 1 1 26 26 ILE C C 26 175.334 175.334 174.746 0.588 19331 764 1 3 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.397 0.549 19331 765 1 3 . 1 1 26 26 ILE CB C 26 37.870 37.870 40.535 -2.664 19331 766 1 3 . 1 1 26 26 ILE H H 26 8.407 8.407 8.817 -0.410 19331 767 1 3 . 1 1 27 27 GLY N N 27 109.455 109.455 113.838 -4.383 19331 768 1 3 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.694 -0.096 19331 769 1 3 . 1 1 27 27 GLY H H 27 7.444 7.444 8.837 -1.393 19331 770 1 3 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.706 -0.526 19331 771 1 3 . 1 1 28 28 PRO C C 28 178.526 178.526 176.429 2.097 19331 772 1 3 . 1 1 28 28 PRO CA C 28 65.014 65.014 61.513 3.501 19331 773 1 3 . 1 1 28 28 PRO CB C 28 31.748 31.748 33.361 -1.613 19331 774 1 3 . 1 1 29 29 ASN N N 29 118.871 118.871 117.404 1.467 19331 775 1 3 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.745 -0.171 19331 776 1 3 . 1 1 29 29 ASN C C 29 176.925 176.925 176.417 0.508 19331 777 1 3 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.799 3.655 19331 778 1 3 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.576 -0.095 19331 779 1 3 . 1 1 29 29 ASN H H 29 8.722 8.722 8.503 0.219 19331 780 1 3 . 1 1 30 30 VAL N N 30 120.904 120.904 117.651 3.253 19331 781 1 3 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.592 0.125 19331 782 1 3 . 1 1 30 30 VAL C C 30 178.526 178.526 176.632 1.894 19331 783 1 3 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.994 0.887 19331 784 1 3 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.249 0.591 19331 785 1 3 . 1 1 30 30 VAL H H 30 7.475 7.475 7.727 -0.252 19331 786 1 3 . 1 1 31 31 LEU N N 31 120.665 120.665 120.859 -0.194 19331 787 1 3 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.225 0.242 19331 788 1 3 . 1 1 31 31 LEU C C 31 177.379 177.379 178.449 -1.070 19331 789 1 3 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.589 0.513 19331 790 1 3 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.838 -0.471 19331 791 1 3 . 1 1 31 31 LEU H H 31 7.853 7.853 7.851 0.002 19331 792 1 3 . 1 1 32 32 MET N N 32 117.671 117.671 117.740 -0.069 19331 793 1 3 . 1 1 32 32 MET HA H 32 4.099 4.099 4.093 0.006 19331 794 1 3 . 1 1 32 32 MET C C 32 178.927 178.927 178.501 0.426 19331 795 1 3 . 1 1 32 32 MET CA C 32 59.015 59.015 59.292 -0.277 19331 796 1 3 . 1 1 32 32 MET CB C 32 32.105 32.105 32.205 -0.100 19331 797 1 3 . 1 1 32 32 MET H H 32 7.974 7.974 7.320 0.654 19331 798 1 3 . 1 1 33 33 VAL N N 33 119.384 119.384 118.997 0.387 19331 799 1 3 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.599 -0.057 19331 800 1 3 . 1 1 33 33 VAL C C 33 179.275 179.275 178.318 0.957 19331 801 1 3 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.362 0.291 19331 802 1 3 . 1 1 33 33 VAL CB C 33 31.815 31.815 30.501 1.314 19331 803 1 3 . 1 1 33 33 VAL H H 33 7.747 7.747 7.693 0.054 19331 804 1 3 . 1 1 34 34 HIS N N 34 120.938 120.938 119.046 1.892 19331 805 1 3 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.285 -0.065 19331 806 1 3 . 1 1 34 34 HIS C C 34 178.486 178.486 178.013 0.473 19331 807 1 3 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.195 0.603 19331 808 1 3 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.658 -1.622 19331 809 1 3 . 1 1 34 34 HIS H H 34 8.664 8.664 7.779 0.885 19331 810 1 3 . 1 1 35 35 LYS N N 35 119.725 119.725 119.730 -0.005 19331 811 1 3 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.122 -0.406 19331 812 1 3 . 1 1 35 35 LYS C C 35 178.526 178.526 178.882 -0.356 19331 813 1 3 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.758 0.908 19331 814 1 3 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.359 -0.931 19331 815 1 3 . 1 1 35 35 LYS H H 35 9.034 9.034 8.411 0.623 19331 816 1 3 . 1 1 36 36 ARG N N 36 118.491 118.491 119.910 -1.419 19331 817 1 3 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.145 0.004 19331 818 1 3 . 1 1 36 36 ARG C C 36 177.752 177.752 179.256 -1.504 19331 819 1 3 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.700 -0.594 19331 820 1 3 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.602 0.112 19331 821 1 3 . 1 1 36 36 ARG H H 36 7.458 7.458 8.064 -0.606 19331 822 1 3 . 1 1 37 37 SER N N 37 113.811 113.811 114.191 -0.380 19331 823 1 3 . 1 1 37 37 SER HA H 37 4.202 4.202 4.335 -0.133 19331 824 1 3 . 1 1 37 37 SER C C 37 174.576 174.576 175.122 -0.546 19331 825 1 3 . 1 1 37 37 SER CA C 37 60.412 60.412 60.444 -0.032 19331 826 1 3 . 1 1 37 37 SER CB C 37 62.129 62.129 63.238 -1.109 19331 827 1 3 . 1 1 37 37 SER H H 37 7.771 7.771 8.066 -0.295 19331 828 1 3 . 1 1 38 38 HIS N N 38 118.829 118.829 119.307 -0.478 19331 829 1 3 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.697 0.297 19331 830 1 3 . 1 1 38 38 HIS C C 38 174.977 174.977 174.841 0.136 19331 831 1 3 . 1 1 38 38 HIS CA C 38 54.798 54.798 55.089 -0.291 19331 832 1 3 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.280 -1.963 19331 833 1 3 . 1 1 38 38 HIS H H 38 7.265 7.265 7.670 -0.405 19331 834 1 3 . 1 1 39 39 THR N N 39 113.289 113.289 118.283 -4.994 19331 835 1 3 . 1 1 39 39 THR HA H 39 4.353 4.353 4.177 0.176 19331 836 1 3 . 1 1 39 39 THR C C 39 174.977 174.977 175.073 -0.096 19331 837 1 3 . 1 1 39 39 THR CA C 39 62.252 62.252 63.153 -0.901 19331 838 1 3 . 1 1 39 39 THR CB C 39 69.773 69.773 68.323 1.450 19331 839 1 3 . 1 1 39 39 THR H H 39 7.814 7.814 7.548 0.266 19331 840 1 3 . 1 1 40 40 GLY N N 40 110.879 110.879 113.452 -2.573 19331 841 1 3 . 1 1 40 40 GLY C C 40 173.802 173.802 174.330 -0.528 19331 842 1 3 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.412 -0.239 19331 843 1 3 . 1 1 40 40 GLY H H 40 8.425 8.425 7.740 0.684 19331 844 1 3 . 1 1 41 41 GLU N N 41 120.081 120.081 120.732 -0.651 19331 845 1 3 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.243 -0.021 19331 846 1 3 . 1 1 41 41 GLU C C 41 176.151 176.151 176.441 -0.290 19331 847 1 3 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.151 0.559 19331 848 1 3 . 1 1 41 41 GLU CB C 41 30.550 30.550 28.640 1.910 19331 849 1 3 . 1 1 41 41 GLU H H 41 8.127 8.127 8.039 0.088 19331 850 1 3 . 1 1 42 42 ARG N N 42 121.379 121.379 125.680 -4.301 19331 851 1 3 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.131 0.399 19331 852 1 3 . 1 1 42 42 ARG CA C 42 53.378 53.378 53.824 -0.446 19331 853 1 3 . 1 1 42 42 ARG CB C 42 30.025 30.025 28.779 1.246 19331 854 1 3 . 1 1 42 42 ARG H H 42 8.370 8.370 8.275 0.094 19331 855 1 3 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.604 -0.344 19331 856 1 3 . 1 1 43 43 PRO C C 43 176.151 176.151 175.815 0.336 19331 857 1 3 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.536 1.116 19331 858 1 3 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.089 0.980 19331 859 1 3 . 1 1 44 44 PHE N N 44 116.589 116.589 125.191 -8.602 19331 860 1 3 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.840 0.005 19331 861 1 3 . 1 1 44 44 PHE C C 44 174.603 174.603 174.489 0.114 19331 862 1 3 . 1 1 44 44 PHE CA C 44 57.080 57.080 55.267 1.813 19331 863 1 3 . 1 1 44 44 PHE CB C 44 39.654 39.654 37.628 2.026 19331 864 1 3 . 1 1 44 44 PHE H H 44 7.659 7.659 8.139 -0.480 19331 865 1 3 . 1 1 45 45 HIS N N 45 121.791 121.791 119.500 2.291 19331 866 1 3 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.194 0.097 19331 867 1 3 . 1 1 45 45 HIS C C 45 172.655 172.655 174.912 -2.257 19331 868 1 3 . 1 1 45 45 HIS CA C 45 54.560 54.560 54.922 -0.362 19331 869 1 3 . 1 1 45 45 HIS CB C 45 31.774 31.774 32.156 -0.382 19331 870 1 3 . 1 1 45 45 HIS H H 45 9.070 9.070 7.979 1.091 19331 871 1 3 . 1 1 46 46 CYS N N 46 125.392 125.392 126.799 -1.407 19331 872 1 3 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.667 -0.125 19331 873 1 3 . 1 1 46 46 CYS C C 46 176.525 176.525 175.755 0.770 19331 874 1 3 . 1 1 46 46 CYS CA C 46 59.233 59.233 58.109 1.124 19331 875 1 3 . 1 1 46 46 CYS CB C 46 29.948 29.948 26.719 3.229 19331 876 1 3 . 1 1 46 46 CYS H H 46 9.189 9.189 8.575 0.614 19331 877 1 3 . 1 1 47 47 ASN N N 47 128.827 128.827 126.914 1.913 19331 878 1 3 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.379 0.318 19331 879 1 3 . 1 1 47 47 ASN C C 47 175.433 175.433 176.883 -1.450 19331 880 1 3 . 1 1 47 47 ASN CA C 47 54.982 54.982 57.011 -2.029 19331 881 1 3 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.658 -0.421 19331 882 1 3 . 1 1 47 47 ASN H H 47 9.302 9.302 8.990 0.312 19331 883 1 3 . 1 1 48 48 GLN N N 48 120.952 120.952 117.664 3.288 19331 884 1 3 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.365 -0.058 19331 885 1 3 . 1 1 48 48 GLN C C 48 176.151 176.151 176.801 -0.650 19331 886 1 3 . 1 1 48 48 GLN CA C 48 57.832 57.832 57.448 0.384 19331 887 1 3 . 1 1 48 48 GLN CB C 48 29.163 29.163 27.894 1.269 19331 888 1 3 . 1 1 48 48 GLN H H 48 9.139 9.139 8.639 0.500 19331 889 1 3 . 1 1 49 49 CYS N N 49 116.176 116.176 117.976 -1.800 19331 890 1 3 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.629 0.520 19331 891 1 3 . 1 1 49 49 CYS C C 49 175.430 175.430 176.073 -0.643 19331 892 1 3 . 1 1 49 49 CYS CA C 49 58.349 58.349 58.992 -0.643 19331 893 1 3 . 1 1 49 49 CYS CB C 49 32.264 32.264 27.897 4.367 19331 894 1 3 . 1 1 49 49 CYS H H 49 8.117 8.117 7.869 0.248 19331 895 1 3 . 1 1 50 50 GLY N N 50 111.724 111.724 108.650 3.074 19331 896 1 3 . 1 1 50 50 GLY C C 50 173.758 173.758 173.836 -0.078 19331 897 1 3 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.357 0.534 19331 898 1 3 . 1 1 50 50 GLY H H 50 8.142 8.142 8.084 0.058 19331 899 1 3 . 1 1 51 51 ALA N N 51 126.041 126.041 123.009 3.032 19331 900 1 3 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.246 -0.159 19331 901 1 3 . 1 1 51 51 ALA C C 51 175.350 175.350 175.813 -0.463 19331 902 1 3 . 1 1 51 51 ALA CA C 51 53.505 53.505 50.447 3.058 19331 903 1 3 . 1 1 51 51 ALA CB C 51 19.611 19.611 18.936 0.674 19331 904 1 3 . 1 1 51 51 ALA H H 51 8.420 8.420 7.377 1.043 19331 905 1 3 . 1 1 52 52 SER N N 52 113.511 113.511 119.587 -6.076 19331 906 1 3 . 1 1 52 52 SER HA H 52 5.255 5.255 3.600 1.655 19331 907 1 3 . 1 1 52 52 SER C C 52 173.002 173.002 172.972 0.030 19331 908 1 3 . 1 1 52 52 SER CA C 52 56.680 56.680 57.385 -0.705 19331 909 1 3 . 1 1 52 52 SER CB C 52 65.958 65.958 63.117 2.841 19331 910 1 3 . 1 1 52 52 SER H H 52 7.829 7.829 8.177 -0.348 19331 911 1 3 . 1 1 53 53 PHE N N 53 117.376 117.376 125.771 -8.395 19331 912 1 3 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.737 0.141 19331 913 1 3 . 1 1 53 53 PHE C C 53 174.977 174.977 175.357 -0.380 19331 914 1 3 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.210 0.346 19331 915 1 3 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.069 1.805 19331 916 1 3 . 1 1 53 53 PHE H H 53 8.802 8.802 8.061 0.741 19331 917 1 3 . 1 1 54 54 THR N N 54 114.290 114.290 116.066 -1.776 19331 918 1 3 . 1 1 54 54 THR HA H 54 4.553 4.553 4.439 0.114 19331 919 1 3 . 1 1 54 54 THR C C 54 174.229 174.229 174.375 -0.146 19331 920 1 3 . 1 1 54 54 THR CA C 54 63.789 63.789 62.232 1.557 19331 921 1 3 . 1 1 54 54 THR CB C 54 69.491 69.491 69.676 -0.185 19331 922 1 3 . 1 1 54 54 THR H H 54 9.129 9.129 8.590 0.539 19331 923 1 3 . 1 1 55 55 GLN N N 55 117.684 117.684 121.348 -3.664 19331 924 1 3 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.762 0.022 19331 925 1 3 . 1 1 55 55 GLN C C 55 176.124 176.124 176.392 -0.268 19331 926 1 3 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.740 -0.675 19331 927 1 3 . 1 1 55 55 GLN CB C 55 31.444 31.444 29.379 2.065 19331 928 1 3 . 1 1 55 55 GLN H H 55 7.563 7.563 8.299 -0.736 19331 929 1 3 . 1 1 56 56 LYS N N 56 127.497 127.497 125.424 2.073 19331 930 1 3 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.461 -0.670 19331 931 1 3 . 1 1 56 56 LYS C C 56 178.179 178.179 177.618 0.561 19331 932 1 3 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.102 0.195 19331 933 1 3 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.551 0.183 19331 934 1 3 . 1 1 56 56 LYS H H 56 8.680 8.680 8.937 -0.257 19331 935 1 3 . 1 1 57 57 GLY N N 57 105.111 105.111 107.295 -2.184 19331 936 1 3 . 1 1 57 57 GLY C C 57 176.204 176.204 175.819 0.385 19331 937 1 3 . 1 1 57 57 GLY CA C 57 47.070 47.070 46.864 0.206 19331 938 1 3 . 1 1 57 57 GLY H H 57 8.900 8.900 8.866 0.034 19331 939 1 3 . 1 1 58 58 ASN N N 58 117.732 117.732 120.265 -2.533 19331 940 1 3 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.366 0.082 19331 941 1 3 . 1 1 58 58 ASN C C 58 177.325 177.325 176.785 0.540 19331 942 1 3 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.070 -0.158 19331 943 1 3 . 1 1 58 58 ASN CB C 58 37.462 37.462 38.235 -0.773 19331 944 1 3 . 1 1 58 58 ASN H H 58 6.958 6.958 7.403 -0.445 19331 945 1 3 . 1 1 59 59 LEU N N 59 123.027 123.027 122.198 0.829 19331 946 1 3 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.258 -0.132 19331 947 1 3 . 1 1 59 59 LEU C C 59 177.352 177.352 177.342 0.010 19331 948 1 3 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.564 0.095 19331 949 1 3 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.655 -1.745 19331 950 1 3 . 1 1 59 59 LEU H H 59 6.885 6.885 7.156 -0.271 19331 951 1 3 . 1 1 60 60 LEU N N 60 117.860 117.860 117.617 0.243 19331 952 1 3 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.513 0.383 19331 953 1 3 . 1 1 60 60 LEU C C 60 179.669 179.669 179.047 0.622 19331 954 1 3 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.595 0.543 19331 955 1 3 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.049 -0.417 19331 956 1 3 . 1 1 60 60 LEU H H 60 8.078 8.078 8.155 -0.077 19331 957 1 3 . 1 1 61 61 ARG N N 61 117.382 117.382 118.933 -1.551 19331 958 1 3 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.770 0.158 19331 959 1 3 . 1 1 61 61 ARG C C 61 177.752 177.752 177.911 -0.159 19331 960 1 3 . 1 1 61 61 ARG CA C 61 59.258 59.258 59.358 -0.100 19331 961 1 3 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.888 0.458 19331 962 1 3 . 1 1 61 61 ARG H H 61 7.414 7.414 7.507 -0.093 19331 963 1 3 . 1 1 62 62 HIS N N 62 119.118 119.118 119.049 0.069 19331 964 1 3 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.087 0.024 19331 965 1 3 . 1 1 62 62 HIS C C 62 176.978 176.978 177.525 -0.547 19331 966 1 3 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.637 -0.071 19331 967 1 3 . 1 1 62 62 HIS CB C 62 28.558 28.558 29.808 -1.250 19331 968 1 3 . 1 1 62 62 HIS H H 62 7.360 7.360 7.406 -0.046 19331 969 1 3 . 1 1 63 63 ILE N N 63 116.662 116.662 115.048 1.614 19331 970 1 3 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.007 -0.338 19331 971 1 3 . 1 1 63 63 ILE C C 63 178.526 178.526 177.355 1.171 19331 972 1 3 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.366 1.509 19331 973 1 3 . 1 1 63 63 ILE CB C 63 38.085 38.085 38.037 0.048 19331 974 1 3 . 1 1 63 63 ILE H H 63 8.500 8.500 8.026 0.474 19331 975 1 3 . 1 1 64 64 LYS N N 64 119.456 119.456 120.709 -1.253 19331 976 1 3 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.064 0.004 19331 977 1 3 . 1 1 64 64 LYS C C 64 178.553 178.553 178.775 -0.222 19331 978 1 3 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.041 -0.374 19331 979 1 3 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.285 -0.281 19331 980 1 3 . 1 1 64 64 LYS H H 64 7.174 7.174 7.126 0.048 19331 981 1 3 . 1 1 65 65 LEU N N 65 118.539 118.539 119.108 -0.569 19331 982 1 3 . 1 1 65 65 LEU HA H 65 4.064 4.064 3.876 0.188 19331 983 1 3 . 1 1 65 65 LEU C C 65 178.980 178.980 179.363 -0.383 19331 984 1 3 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.205 -0.598 19331 985 1 3 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.415 -0.438 19331 986 1 3 . 1 1 65 65 LEU H H 65 7.744 7.744 7.818 -0.074 19331 987 1 3 . 1 1 66 66 HIS N N 66 115.422 115.422 117.366 -1.944 19331 988 1 3 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.317 0.416 19331 989 1 3 . 1 1 66 66 HIS C C 66 175.671 175.671 176.903 -1.232 19331 990 1 3 . 1 1 66 66 HIS CA C 66 56.128 56.128 58.408 -2.280 19331 991 1 3 . 1 1 66 66 HIS CB C 66 28.573 28.573 29.469 -0.896 19331 992 1 3 . 1 1 66 66 HIS H H 66 7.357 7.357 7.630 -0.273 19331 993 1 3 . 1 1 67 67 SER N N 67 115.047 115.047 111.771 3.276 19331 994 1 3 . 1 1 67 67 SER HA H 67 4.459 4.459 4.548 -0.089 19331 995 1 3 . 1 1 67 67 SER C C 67 175.003 175.003 174.851 0.152 19331 996 1 3 . 1 1 67 67 SER CA C 67 59.246 59.246 58.444 0.802 19331 997 1 3 . 1 1 67 67 SER CB C 67 63.693 63.693 63.917 -0.224 19331 998 1 3 . 1 1 67 67 SER H H 67 7.859 7.859 7.611 0.248 19331 999 1 3 . 1 1 68 68 GLY N N 68 110.437 110.437 109.798 0.639 19331 1000 1 3 . 1 1 68 68 GLY C C 68 173.812 173.812 174.031 -0.219 19331 1001 1 3 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.597 -0.290 19331 1002 1 3 . 1 1 68 68 GLY H H 68 8.281 8.281 7.482 0.799 19331 1003 1 3 . 1 1 69 69 GLU N N 69 120.321 120.321 117.644 2.677 19331 1004 1 3 . 1 1 69 69 GLU HA H 69 4.280 4.280 3.997 0.283 19331 1005 1 3 . 1 1 69 69 GLU C C 69 176.124 176.124 174.521 1.603 19331 1006 1 3 . 1 1 69 69 GLU CA C 69 56.393 56.393 57.223 -0.830 19331 1007 1 3 . 1 1 69 69 GLU CB C 69 30.396 30.396 30.326 0.070 19331 1008 1 3 . 1 1 69 69 GLU H H 69 8.069 8.069 7.859 0.210 19331 1009 1 3 . 1 1 70 70 LYS N N 70 123.278 123.278 122.384 0.894 19331 1010 1 3 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.773 -0.179 19331 1011 1 3 . 1 1 70 70 LYS CA C 70 54.065 54.065 54.117 -0.052 19331 1012 1 3 . 1 1 70 70 LYS CB C 70 32.557 32.557 34.471 -1.914 19331 1013 1 3 . 1 1 70 70 LYS H H 70 8.349 8.349 8.158 0.191 19331 1014 1 3 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.585 -0.194 19331 1015 1 3 . 1 1 71 71 PRO C C 71 176.178 176.178 175.484 0.694 19331 1016 1 3 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.840 0.303 19331 1017 1 3 . 1 1 71 71 PRO CB C 71 31.837 31.837 29.624 2.213 19331 1018 1 3 . 1 1 72 72 PHE N N 72 120.324 120.324 123.590 -3.266 19331 1019 1 3 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.514 0.092 19331 1020 1 3 . 1 1 72 72 PHE C C 72 174.546 174.546 174.588 -0.042 19331 1021 1 3 . 1 1 72 72 PHE CA C 72 57.543 57.543 57.592 -0.049 19331 1022 1 3 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.482 0.019 19331 1023 1 3 . 1 1 72 72 PHE H H 72 8.177 8.177 8.087 0.090 19331 1024 1 4 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.461 -0.201 19331 1025 1 4 . 1 1 12 12 PRO C C 12 175.377 175.377 176.041 -0.664 19331 1026 1 4 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.776 0.609 19331 1027 1 4 . 1 1 12 12 PRO CB C 12 32.069 32.069 31.398 0.671 19331 1028 1 4 . 1 1 13 13 ASN N N 13 123.885 123.885 122.744 1.141 19331 1029 1 4 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.708 -0.244 19331 1030 1 4 . 1 1 13 13 ASN C C 13 176.178 176.178 176.032 0.146 19331 1031 1 4 . 1 1 13 13 ASN CA C 13 54.834 54.834 53.477 1.357 19331 1032 1 4 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.534 1.471 19331 1033 1 4 . 1 1 13 13 ASN H H 13 8.001 8.001 8.401 -0.400 19331 1034 1 4 . 1 1 14 14 GLY N N 14 113.831 113.831 110.929 2.902 19331 1035 1 4 . 1 1 14 14 GLY C C 14 174.152 174.152 173.006 1.146 19331 1036 1 4 . 1 1 14 14 GLY CA C 14 45.365 45.365 44.971 0.394 19331 1037 1 4 . 1 1 14 14 GLY H H 14 8.367 8.367 8.676 -0.309 19331 1038 1 4 . 1 1 15 15 LYS N N 15 119.903 119.903 118.440 1.463 19331 1039 1 4 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.381 -0.084 19331 1040 1 4 . 1 1 15 15 LYS C C 15 176.217 176.217 175.253 0.964 19331 1041 1 4 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.581 1.340 19331 1042 1 4 . 1 1 15 15 LYS CB C 15 32.804 32.804 33.126 -0.322 19331 1043 1 4 . 1 1 15 15 LYS H H 15 8.200 8.200 7.806 0.394 19331 1044 1 4 . 1 1 16 16 LEU N N 16 122.670 122.670 121.042 1.628 19331 1045 1 4 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.809 -0.355 19331 1046 1 4 . 1 1 16 16 LEU C C 16 173.805 173.805 176.548 -2.743 19331 1047 1 4 . 1 1 16 16 LEU CA C 16 55.080 55.080 53.805 1.275 19331 1048 1 4 . 1 1 16 16 LEU CB C 16 41.852 41.852 43.155 -1.303 19331 1049 1 4 . 1 1 16 16 LEU H H 16 8.394 8.394 8.313 0.081 19331 1050 1 4 . 1 1 17 17 LYS N N 17 120.445 120.445 120.881 -0.436 19331 1051 1 4 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.648 0.229 19331 1052 1 4 . 1 1 17 17 LYS C C 17 175.777 175.777 175.934 -0.157 19331 1053 1 4 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.715 -1.226 19331 1054 1 4 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.240 1.914 19331 1055 1 4 . 1 1 17 17 LYS H H 17 8.026 8.026 8.474 -0.448 19331 1056 1 4 . 1 1 18 18 CYS N N 18 127.176 127.176 121.128 6.048 19331 1057 1 4 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.728 -0.501 19331 1058 1 4 . 1 1 18 18 CYS C C 18 176.551 176.551 174.246 2.305 19331 1059 1 4 . 1 1 18 18 CYS CA C 18 60.677 60.677 57.195 3.482 19331 1060 1 4 . 1 1 18 18 CYS CB C 18 29.821 29.821 27.872 1.949 19331 1061 1 4 . 1 1 18 18 CYS H H 18 9.071 9.071 8.562 0.509 19331 1062 1 4 . 1 1 19 19 ASP N N 19 130.419 130.419 125.154 5.265 19331 1063 1 4 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.733 -0.369 19331 1064 1 4 . 1 1 19 19 ASP C C 19 175.433 175.433 175.401 0.032 19331 1065 1 4 . 1 1 19 19 ASP CA C 19 55.671 55.671 55.270 0.401 19331 1066 1 4 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.467 -1.854 19331 1067 1 4 . 1 1 19 19 ASP H H 19 9.137 9.137 8.551 0.586 19331 1068 1 4 . 1 1 20 20 VAL N N 20 123.067 123.067 124.998 -1.931 19331 1069 1 4 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.252 -0.430 19331 1070 1 4 . 1 1 20 20 VAL C C 20 177.009 177.009 174.657 2.352 19331 1071 1 4 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.516 3.846 19331 1072 1 4 . 1 1 20 20 VAL CB C 20 32.970 32.970 33.054 -0.084 19331 1073 1 4 . 1 1 20 20 VAL H H 20 9.022 9.022 8.439 0.583 19331 1074 1 4 . 1 1 21 21 CYS N N 21 115.484 115.484 125.523 -10.039 19331 1075 1 4 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.854 0.261 19331 1076 1 4 . 1 1 21 21 CYS C C 21 176.178 176.178 175.634 0.544 19331 1077 1 4 . 1 1 21 21 CYS CA C 21 58.067 58.067 57.873 0.194 19331 1078 1 4 . 1 1 21 21 CYS CB C 21 33.096 33.096 29.128 3.968 19331 1079 1 4 . 1 1 21 21 CYS H H 21 8.092 8.092 8.611 -0.519 19331 1080 1 4 . 1 1 22 22 GLY N N 22 113.222 113.222 112.077 1.145 19331 1081 1 4 . 1 1 22 22 GLY C C 22 173.028 173.028 175.363 -2.335 19331 1082 1 4 . 1 1 22 22 GLY CA C 22 45.741 45.741 45.699 0.042 19331 1083 1 4 . 1 1 22 22 GLY H H 22 7.931 7.931 8.985 -1.054 19331 1084 1 4 . 1 1 23 23 MET N N 23 122.930 122.930 119.662 3.268 19331 1085 1 4 . 1 1 23 23 MET HA H 23 4.075 4.075 4.495 -0.420 19331 1086 1 4 . 1 1 23 23 MET C C 23 174.950 174.950 176.540 -1.590 19331 1087 1 4 . 1 1 23 23 MET CA C 23 57.226 57.226 56.658 0.568 19331 1088 1 4 . 1 1 23 23 MET CB C 23 33.750 33.750 31.628 2.122 19331 1089 1 4 . 1 1 23 23 MET H H 23 8.276 8.276 8.155 0.121 19331 1090 1 4 . 1 1 24 24 VAL N N 24 126.800 126.800 117.371 9.429 19331 1091 1 4 . 1 1 24 24 VAL HA H 24 4.330 4.330 3.920 0.410 19331 1092 1 4 . 1 1 24 24 VAL C C 24 176.124 176.124 176.127 -0.003 19331 1093 1 4 . 1 1 24 24 VAL CA C 24 62.581 62.581 64.352 -1.771 19331 1094 1 4 . 1 1 24 24 VAL CB C 24 31.843 31.843 31.309 0.534 19331 1095 1 4 . 1 1 24 24 VAL H H 24 8.466 8.466 7.757 0.709 19331 1096 1 4 . 1 1 25 25 CYS N N 25 125.377 125.377 120.942 4.435 19331 1097 1 4 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.667 0.062 19331 1098 1 4 . 1 1 25 25 CYS C C 25 173.829 173.829 173.868 -0.039 19331 1099 1 4 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.866 -1.356 19331 1100 1 4 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.453 3.196 19331 1101 1 4 . 1 1 25 25 CYS H H 25 8.720 8.720 7.562 1.158 19331 1102 1 4 . 1 1 26 26 ILE N N 26 119.435 119.435 121.584 -2.149 19331 1103 1 4 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.650 -0.480 19331 1104 1 4 . 1 1 26 26 ILE C C 26 175.334 175.334 175.461 -0.127 19331 1105 1 4 . 1 1 26 26 ILE CA C 26 61.946 61.946 60.327 1.619 19331 1106 1 4 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.695 -1.825 19331 1107 1 4 . 1 1 26 26 ILE H H 26 8.407 8.407 8.440 -0.033 19331 1108 1 4 . 1 1 27 27 GLY N N 27 109.455 109.455 110.099 -0.644 19331 1109 1 4 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.557 0.041 19331 1110 1 4 . 1 1 27 27 GLY H H 27 7.444 7.444 8.407 -0.963 19331 1111 1 4 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.539 -0.359 19331 1112 1 4 . 1 1 28 28 PRO C C 28 178.526 178.526 177.448 1.078 19331 1113 1 4 . 1 1 28 28 PRO CA C 28 65.014 65.014 61.921 3.093 19331 1114 1 4 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.882 -1.134 19331 1115 1 4 . 1 1 29 29 ASN N N 29 118.871 118.871 121.557 -2.686 19331 1116 1 4 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.492 0.082 19331 1117 1 4 . 1 1 29 29 ASN C C 29 176.925 176.925 176.910 0.015 19331 1118 1 4 . 1 1 29 29 ASN CA C 29 56.454 56.454 54.490 1.964 19331 1119 1 4 . 1 1 29 29 ASN CB C 29 37.481 37.481 38.676 -1.196 19331 1120 1 4 . 1 1 29 29 ASN H H 29 8.722 8.722 8.744 -0.022 19331 1121 1 4 . 1 1 30 30 VAL N N 30 120.904 120.904 120.642 0.262 19331 1122 1 4 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.690 0.027 19331 1123 1 4 . 1 1 30 30 VAL C C 30 178.526 178.526 176.754 1.772 19331 1124 1 4 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.770 1.111 19331 1125 1 4 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.657 0.183 19331 1126 1 4 . 1 1 30 30 VAL H H 30 7.475 7.475 8.057 -0.582 19331 1127 1 4 . 1 1 31 31 LEU N N 31 120.665 120.665 118.824 1.841 19331 1128 1 4 . 1 1 31 31 LEU HA H 31 4.467 4.467 3.812 0.655 19331 1129 1 4 . 1 1 31 31 LEU C C 31 177.379 177.379 179.043 -1.664 19331 1130 1 4 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.723 0.379 19331 1131 1 4 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.223 0.144 19331 1132 1 4 . 1 1 31 31 LEU H H 31 7.853 7.853 7.274 0.579 19331 1133 1 4 . 1 1 32 32 MET N N 32 117.671 117.671 118.642 -0.971 19331 1134 1 4 . 1 1 32 32 MET HA H 32 4.099 4.099 4.206 -0.107 19331 1135 1 4 . 1 1 32 32 MET C C 32 178.927 178.927 178.130 0.797 19331 1136 1 4 . 1 1 32 32 MET CA C 32 59.015 59.015 57.813 1.202 19331 1137 1 4 . 1 1 32 32 MET CB C 32 32.105 32.105 31.825 0.280 19331 1138 1 4 . 1 1 32 32 MET H H 32 7.974 7.974 7.620 0.354 19331 1139 1 4 . 1 1 33 33 VAL N N 33 119.384 119.384 119.330 0.054 19331 1140 1 4 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.573 -0.031 19331 1141 1 4 . 1 1 33 33 VAL C C 33 179.275 179.275 177.866 1.409 19331 1142 1 4 . 1 1 33 33 VAL CA C 33 66.653 66.653 67.379 -0.727 19331 1143 1 4 . 1 1 33 33 VAL CB C 33 31.815 31.815 30.959 0.856 19331 1144 1 4 . 1 1 33 33 VAL H H 33 7.747 7.747 7.862 -0.115 19331 1145 1 4 . 1 1 34 34 HIS N N 34 120.938 120.938 119.361 1.577 19331 1146 1 4 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.203 0.017 19331 1147 1 4 . 1 1 34 34 HIS C C 34 178.486 178.486 177.988 0.498 19331 1148 1 4 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.850 -0.052 19331 1149 1 4 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.771 -1.735 19331 1150 1 4 . 1 1 34 34 HIS H H 34 8.664 8.664 8.090 0.574 19331 1151 1 4 . 1 1 35 35 LYS N N 35 119.725 119.725 117.954 1.771 19331 1152 1 4 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.404 -0.688 19331 1153 1 4 . 1 1 35 35 LYS C C 35 178.526 178.526 178.312 0.214 19331 1154 1 4 . 1 1 35 35 LYS CA C 35 60.666 60.666 57.662 3.004 19331 1155 1 4 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.236 -0.808 19331 1156 1 4 . 1 1 35 35 LYS H H 35 9.034 9.034 7.879 1.155 19331 1157 1 4 . 1 1 36 36 ARG N N 36 118.491 118.491 118.905 -0.414 19331 1158 1 4 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.210 -0.061 19331 1159 1 4 . 1 1 36 36 ARG C C 36 177.752 177.752 177.678 0.074 19331 1160 1 4 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.344 -0.237 19331 1161 1 4 . 1 1 36 36 ARG CB C 36 29.714 29.714 30.084 -0.370 19331 1162 1 4 . 1 1 36 36 ARG H H 36 7.458 7.458 7.965 -0.507 19331 1163 1 4 . 1 1 37 37 SER N N 37 113.811 113.811 113.590 0.221 19331 1164 1 4 . 1 1 37 37 SER HA H 37 4.202 4.202 4.444 -0.242 19331 1165 1 4 . 1 1 37 37 SER C C 37 174.576 174.576 174.514 0.062 19331 1166 1 4 . 1 1 37 37 SER CA C 37 60.412 60.412 61.073 -0.661 19331 1167 1 4 . 1 1 37 37 SER CB C 37 62.129 62.129 63.824 -1.695 19331 1168 1 4 . 1 1 37 37 SER H H 37 7.771 7.771 7.832 -0.061 19331 1169 1 4 . 1 1 38 38 HIS N N 38 118.829 118.829 123.053 -4.224 19331 1170 1 4 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.517 0.477 19331 1171 1 4 . 1 1 38 38 HIS C C 38 174.977 174.977 174.436 0.541 19331 1172 1 4 . 1 1 38 38 HIS CA C 38 54.798 54.798 56.731 -1.933 19331 1173 1 4 . 1 1 38 38 HIS CB C 38 28.317 28.317 28.960 -0.643 19331 1174 1 4 . 1 1 38 38 HIS H H 38 7.265 7.265 7.762 -0.497 19331 1175 1 4 . 1 1 39 39 THR N N 39 113.289 113.289 119.360 -6.071 19331 1176 1 4 . 1 1 39 39 THR HA H 39 4.353 4.353 4.300 0.053 19331 1177 1 4 . 1 1 39 39 THR C C 39 174.977 174.977 174.570 0.407 19331 1178 1 4 . 1 1 39 39 THR CA C 39 62.252 62.252 61.557 0.695 19331 1179 1 4 . 1 1 39 39 THR CB C 39 69.773 69.773 70.706 -0.933 19331 1180 1 4 . 1 1 39 39 THR H H 39 7.814 7.814 7.748 0.066 19331 1181 1 4 . 1 1 40 40 GLY N N 40 110.879 110.879 111.357 -0.478 19331 1182 1 4 . 1 1 40 40 GLY C C 40 173.802 173.802 173.718 0.084 19331 1183 1 4 . 1 1 40 40 GLY CA C 40 45.173 45.173 44.876 0.297 19331 1184 1 4 . 1 1 40 40 GLY H H 40 8.425 8.425 8.359 0.066 19331 1185 1 4 . 1 1 41 41 GLU N N 41 120.081 120.081 120.502 -0.421 19331 1186 1 4 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.245 -0.023 19331 1187 1 4 . 1 1 41 41 GLU C C 41 176.151 176.151 176.141 0.010 19331 1188 1 4 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.237 0.472 19331 1189 1 4 . 1 1 41 41 GLU CB C 41 30.550 30.550 29.467 1.083 19331 1190 1 4 . 1 1 41 41 GLU H H 41 8.127 8.127 8.436 -0.309 19331 1191 1 4 . 1 1 42 42 ARG N N 42 121.379 121.379 125.486 -4.107 19331 1192 1 4 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.329 0.201 19331 1193 1 4 . 1 1 42 42 ARG CA C 42 53.378 53.378 53.300 0.078 19331 1194 1 4 . 1 1 42 42 ARG CB C 42 30.025 30.025 29.720 0.305 19331 1195 1 4 . 1 1 42 42 ARG H H 42 8.370 8.370 8.057 0.313 19331 1196 1 4 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.091 0.169 19331 1197 1 4 . 1 1 43 43 PRO C C 43 176.151 176.151 175.464 0.687 19331 1198 1 4 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.848 0.804 19331 1199 1 4 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.238 0.831 19331 1200 1 4 . 1 1 44 44 PHE N N 44 116.589 116.589 124.397 -7.808 19331 1201 1 4 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.375 0.470 19331 1202 1 4 . 1 1 44 44 PHE C C 44 174.603 174.603 175.221 -0.618 19331 1203 1 4 . 1 1 44 44 PHE CA C 44 57.080 57.080 58.525 -1.445 19331 1204 1 4 . 1 1 44 44 PHE CB C 44 39.654 39.654 39.751 -0.097 19331 1205 1 4 . 1 1 44 44 PHE H H 44 7.659 7.659 8.170 -0.511 19331 1206 1 4 . 1 1 45 45 HIS N N 45 121.791 121.791 122.133 -0.342 19331 1207 1 4 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.029 0.262 19331 1208 1 4 . 1 1 45 45 HIS C C 45 172.655 172.655 175.294 -2.639 19331 1209 1 4 . 1 1 45 45 HIS CA C 45 54.560 54.560 55.510 -0.950 19331 1210 1 4 . 1 1 45 45 HIS CB C 45 31.774 31.774 32.741 -0.967 19331 1211 1 4 . 1 1 45 45 HIS H H 45 9.070 9.070 8.220 0.850 19331 1212 1 4 . 1 1 46 46 CYS N N 46 125.392 125.392 123.499 1.893 19331 1213 1 4 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.400 0.142 19331 1214 1 4 . 1 1 46 46 CYS C C 46 176.525 176.525 174.224 2.301 19331 1215 1 4 . 1 1 46 46 CYS CA C 46 59.233 59.233 60.784 -1.551 19331 1216 1 4 . 1 1 46 46 CYS CB C 46 29.948 29.948 27.916 2.031 19331 1217 1 4 . 1 1 46 46 CYS H H 46 9.189 9.189 8.906 0.283 19331 1218 1 4 . 1 1 47 47 ASN N N 47 128.827 128.827 115.056 13.771 19331 1219 1 4 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.777 -0.080 19331 1220 1 4 . 1 1 47 47 ASN C C 47 175.433 175.433 175.022 0.411 19331 1221 1 4 . 1 1 47 47 ASN CA C 47 54.982 54.982 52.865 2.117 19331 1222 1 4 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.863 -0.626 19331 1223 1 4 . 1 1 47 47 ASN H H 47 9.302 9.302 7.940 1.362 19331 1224 1 4 . 1 1 48 48 GLN N N 48 120.952 120.952 120.154 0.798 19331 1225 1 4 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.255 0.052 19331 1226 1 4 . 1 1 48 48 GLN C C 48 176.151 176.151 176.503 -0.352 19331 1227 1 4 . 1 1 48 48 GLN CA C 48 57.832 57.832 57.878 -0.046 19331 1228 1 4 . 1 1 48 48 GLN CB C 48 29.163 29.163 28.559 0.604 19331 1229 1 4 . 1 1 48 48 GLN H H 48 9.139 9.139 8.949 0.190 19331 1230 1 4 . 1 1 49 49 CYS N N 49 116.176 116.176 113.520 2.656 19331 1231 1 4 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.511 0.638 19331 1232 1 4 . 1 1 49 49 CYS C C 49 175.430 175.430 175.744 -0.314 19331 1233 1 4 . 1 1 49 49 CYS CA C 49 58.349 58.349 57.974 0.375 19331 1234 1 4 . 1 1 49 49 CYS CB C 49 32.264 32.264 26.273 5.991 19331 1235 1 4 . 1 1 49 49 CYS H H 49 8.117 8.117 7.976 0.141 19331 1236 1 4 . 1 1 50 50 GLY N N 50 111.724 111.724 110.554 1.170 19331 1237 1 4 . 1 1 50 50 GLY C C 50 173.758 173.758 173.385 0.373 19331 1238 1 4 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.070 0.821 19331 1239 1 4 . 1 1 50 50 GLY H H 50 8.142 8.142 7.809 0.333 19331 1240 1 4 . 1 1 51 51 ALA N N 51 126.041 126.041 124.890 1.151 19331 1241 1 4 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.597 -0.510 19331 1242 1 4 . 1 1 51 51 ALA C C 51 175.350 175.350 174.895 0.455 19331 1243 1 4 . 1 1 51 51 ALA CA C 51 53.505 53.505 50.973 2.532 19331 1244 1 4 . 1 1 51 51 ALA CB C 51 19.611 19.611 21.426 -1.815 19331 1245 1 4 . 1 1 51 51 ALA H H 51 8.420 8.420 8.386 0.034 19331 1246 1 4 . 1 1 52 52 SER N N 52 113.511 113.511 115.133 -1.622 19331 1247 1 4 . 1 1 52 52 SER HA H 52 5.255 5.255 5.010 0.245 19331 1248 1 4 . 1 1 52 52 SER C C 52 173.002 173.002 172.975 0.027 19331 1249 1 4 . 1 1 52 52 SER CA C 52 56.680 56.680 57.334 -0.654 19331 1250 1 4 . 1 1 52 52 SER CB C 52 65.958 65.958 65.216 0.742 19331 1251 1 4 . 1 1 52 52 SER H H 52 7.829 7.829 7.828 0.001 19331 1252 1 4 . 1 1 53 53 PHE N N 53 117.376 117.376 123.675 -6.299 19331 1253 1 4 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.792 0.086 19331 1254 1 4 . 1 1 53 53 PHE C C 53 174.977 174.977 175.697 -0.720 19331 1255 1 4 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.511 0.045 19331 1256 1 4 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.068 1.806 19331 1257 1 4 . 1 1 53 53 PHE H H 53 8.802 8.802 8.767 0.035 19331 1258 1 4 . 1 1 54 54 THR N N 54 114.290 114.290 116.078 -1.788 19331 1259 1 4 . 1 1 54 54 THR HA H 54 4.553 4.553 4.232 0.321 19331 1260 1 4 . 1 1 54 54 THR C C 54 174.229 174.229 173.783 0.446 19331 1261 1 4 . 1 1 54 54 THR CA C 54 63.789 63.789 62.941 0.848 19331 1262 1 4 . 1 1 54 54 THR CB C 54 69.491 69.491 69.120 0.371 19331 1263 1 4 . 1 1 54 54 THR H H 54 9.129 9.129 8.628 0.501 19331 1264 1 4 . 1 1 55 55 GLN N N 55 117.684 117.684 118.933 -1.249 19331 1265 1 4 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.779 0.005 19331 1266 1 4 . 1 1 55 55 GLN C C 55 176.124 176.124 176.225 -0.101 19331 1267 1 4 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.712 -0.648 19331 1268 1 4 . 1 1 55 55 GLN CB C 55 31.444 31.444 31.054 0.390 19331 1269 1 4 . 1 1 55 55 GLN H H 55 7.563 7.563 7.958 -0.395 19331 1270 1 4 . 1 1 56 56 LYS N N 56 127.497 127.497 124.878 2.619 19331 1271 1 4 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.325 -0.534 19331 1272 1 4 . 1 1 56 56 LYS C C 56 178.179 178.179 177.764 0.415 19331 1273 1 4 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.051 0.246 19331 1274 1 4 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.563 0.171 19331 1275 1 4 . 1 1 56 56 LYS H H 56 8.680 8.680 8.793 -0.113 19331 1276 1 4 . 1 1 57 57 GLY N N 57 105.111 105.111 107.845 -2.734 19331 1277 1 4 . 1 1 57 57 GLY C C 57 176.204 176.204 175.981 0.223 19331 1278 1 4 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.083 -0.013 19331 1279 1 4 . 1 1 57 57 GLY H H 57 8.900 8.900 8.822 0.078 19331 1280 1 4 . 1 1 58 58 ASN N N 58 117.732 117.732 119.764 -2.032 19331 1281 1 4 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.339 0.109 19331 1282 1 4 . 1 1 58 58 ASN C C 58 177.325 177.325 176.730 0.595 19331 1283 1 4 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.692 -0.780 19331 1284 1 4 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.980 -0.518 19331 1285 1 4 . 1 1 58 58 ASN H H 58 6.958 6.958 7.498 -0.540 19331 1286 1 4 . 1 1 59 59 LEU N N 59 123.027 123.027 121.415 1.612 19331 1287 1 4 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.524 -0.398 19331 1288 1 4 . 1 1 59 59 LEU C C 59 177.352 177.352 177.499 -0.147 19331 1289 1 4 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.722 -0.063 19331 1290 1 4 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.794 -1.884 19331 1291 1 4 . 1 1 59 59 LEU H H 59 6.885 6.885 7.123 -0.238 19331 1292 1 4 . 1 1 60 60 LEU N N 60 117.860 117.860 117.764 0.096 19331 1293 1 4 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.790 0.106 19331 1294 1 4 . 1 1 60 60 LEU C C 60 179.669 179.669 179.267 0.402 19331 1295 1 4 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.973 0.165 19331 1296 1 4 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.257 -0.625 19331 1297 1 4 . 1 1 60 60 LEU H H 60 8.078 8.078 8.168 -0.090 19331 1298 1 4 . 1 1 61 61 ARG N N 61 117.382 117.382 118.570 -1.188 19331 1299 1 4 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.924 0.004 19331 1300 1 4 . 1 1 61 61 ARG C C 61 177.752 177.752 178.275 -0.523 19331 1301 1 4 . 1 1 61 61 ARG CA C 61 59.258 59.258 59.476 -0.218 19331 1302 1 4 . 1 1 61 61 ARG CB C 61 30.346 30.346 30.123 0.223 19331 1303 1 4 . 1 1 61 61 ARG H H 61 7.414 7.414 7.451 -0.037 19331 1304 1 4 . 1 1 62 62 HIS N N 62 119.118 119.118 118.139 0.979 19331 1305 1 4 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.407 -0.296 19331 1306 1 4 . 1 1 62 62 HIS C C 62 176.978 176.978 178.014 -1.036 19331 1307 1 4 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.336 0.230 19331 1308 1 4 . 1 1 62 62 HIS CB C 62 28.558 28.558 29.809 -1.251 19331 1309 1 4 . 1 1 62 62 HIS H H 62 7.360 7.360 7.509 -0.149 19331 1310 1 4 . 1 1 63 63 ILE N N 63 116.662 116.662 116.680 -0.018 19331 1311 1 4 . 1 1 63 63 ILE HA H 63 3.669 3.669 3.770 -0.101 19331 1312 1 4 . 1 1 63 63 ILE C C 63 178.526 178.526 177.807 0.719 19331 1313 1 4 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.248 1.627 19331 1314 1 4 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.662 0.423 19331 1315 1 4 . 1 1 63 63 ILE H H 63 8.500 8.500 8.376 0.124 19331 1316 1 4 . 1 1 64 64 LYS N N 64 119.456 119.456 121.025 -1.569 19331 1317 1 4 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.093 -0.025 19331 1318 1 4 . 1 1 64 64 LYS C C 64 178.553 178.553 178.674 -0.121 19331 1319 1 4 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.321 -0.654 19331 1320 1 4 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.325 -0.321 19331 1321 1 4 . 1 1 64 64 LYS H H 64 7.174 7.174 7.532 -0.358 19331 1322 1 4 . 1 1 65 65 LEU N N 65 118.539 118.539 116.041 2.498 19331 1323 1 4 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.262 -0.198 19331 1324 1 4 . 1 1 65 65 LEU C C 65 178.980 178.980 178.351 0.629 19331 1325 1 4 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.282 0.325 19331 1326 1 4 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.540 -0.563 19331 1327 1 4 . 1 1 65 65 LEU H H 65 7.744 7.744 7.520 0.224 19331 1328 1 4 . 1 1 66 66 HIS N N 66 115.422 115.422 117.235 -1.813 19331 1329 1 4 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.357 0.376 19331 1330 1 4 . 1 1 66 66 HIS C C 66 175.671 175.671 176.430 -0.759 19331 1331 1 4 . 1 1 66 66 HIS CA C 66 56.128 56.128 58.280 -2.152 19331 1332 1 4 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.197 -1.624 19331 1333 1 4 . 1 1 66 66 HIS H H 66 7.357 7.357 7.649 -0.292 19331 1334 1 4 . 1 1 67 67 SER N N 67 115.047 115.047 112.342 2.705 19331 1335 1 4 . 1 1 67 67 SER HA H 67 4.459 4.459 4.707 -0.248 19331 1336 1 4 . 1 1 67 67 SER C C 67 175.003 175.003 174.649 0.354 19331 1337 1 4 . 1 1 67 67 SER CA C 67 59.246 59.246 58.264 0.982 19331 1338 1 4 . 1 1 67 67 SER CB C 67 63.693 63.693 64.625 -0.932 19331 1339 1 4 . 1 1 67 67 SER H H 67 7.859 7.859 7.904 -0.045 19331 1340 1 4 . 1 1 68 68 GLY N N 68 110.437 110.437 111.476 -1.039 19331 1341 1 4 . 1 1 68 68 GLY C C 68 173.812 173.812 175.004 -1.192 19331 1342 1 4 . 1 1 68 68 GLY CA C 68 45.307 45.307 46.875 -1.568 19331 1343 1 4 . 1 1 68 68 GLY H H 68 8.281 8.281 7.535 0.746 19331 1344 1 4 . 1 1 69 69 GLU N N 69 120.321 120.321 123.848 -3.527 19331 1345 1 4 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.677 -0.397 19331 1346 1 4 . 1 1 69 69 GLU C C 69 176.124 176.124 175.817 0.307 19331 1347 1 4 . 1 1 69 69 GLU CA C 69 56.393 56.393 54.319 2.074 19331 1348 1 4 . 1 1 69 69 GLU CB C 69 30.396 30.396 30.116 0.280 19331 1349 1 4 . 1 1 69 69 GLU H H 69 8.069 8.069 8.096 -0.027 19331 1350 1 4 . 1 1 70 70 LYS N N 70 123.278 123.278 118.692 4.586 19331 1351 1 4 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.026 0.568 19331 1352 1 4 . 1 1 70 70 LYS CA C 70 54.065 54.065 56.806 -2.741 19331 1353 1 4 . 1 1 70 70 LYS CB C 70 32.557 32.557 31.261 1.296 19331 1354 1 4 . 1 1 70 70 LYS H H 70 8.349 8.349 7.371 0.978 19331 1355 1 4 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.343 0.048 19331 1356 1 4 . 1 1 71 71 PRO C C 71 176.178 176.178 177.310 -1.132 19331 1357 1 4 . 1 1 71 71 PRO CA C 71 63.143 63.143 63.853 -0.710 19331 1358 1 4 . 1 1 71 71 PRO CB C 71 31.837 31.837 31.562 0.275 19331 1359 1 4 . 1 1 72 72 PHE N N 72 120.324 120.324 123.240 -2.916 19331 1360 1 4 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.374 0.232 19331 1361 1 4 . 1 1 72 72 PHE C C 72 174.546 174.546 176.233 -1.687 19331 1362 1 4 . 1 1 72 72 PHE CA C 72 57.543 57.543 59.250 -1.707 19331 1363 1 4 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.015 0.486 19331 1364 1 4 . 1 1 72 72 PHE H H 72 8.177 8.177 8.731 -0.554 19331 1365 1 5 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.450 -0.190 19331 1366 1 5 . 1 1 12 12 PRO C C 12 175.377 175.377 176.169 -0.792 19331 1367 1 5 . 1 1 12 12 PRO CA C 12 63.385 63.385 63.081 0.304 19331 1368 1 5 . 1 1 12 12 PRO CB C 12 32.069 32.069 31.608 0.461 19331 1369 1 5 . 1 1 13 13 ASN N N 13 123.885 123.885 123.639 0.246 19331 1370 1 5 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.841 -0.377 19331 1371 1 5 . 1 1 13 13 ASN C C 13 176.178 176.178 174.843 1.335 19331 1372 1 5 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.072 2.762 19331 1373 1 5 . 1 1 13 13 ASN CB C 13 41.005 41.005 40.406 0.599 19331 1374 1 5 . 1 1 13 13 ASN H H 13 8.001 8.001 8.415 -0.414 19331 1375 1 5 . 1 1 14 14 GLY N N 14 113.831 113.831 109.108 4.723 19331 1376 1 5 . 1 1 14 14 GLY C C 14 174.152 174.152 173.801 0.351 19331 1377 1 5 . 1 1 14 14 GLY CA C 14 45.365 45.365 44.885 0.480 19331 1378 1 5 . 1 1 14 14 GLY H H 14 8.367 8.367 8.301 0.066 19331 1379 1 5 . 1 1 15 15 LYS N N 15 119.903 119.903 120.854 -0.951 19331 1380 1 5 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.731 -0.434 19331 1381 1 5 . 1 1 15 15 LYS C C 15 176.217 176.217 175.559 0.658 19331 1382 1 5 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.871 1.050 19331 1383 1 5 . 1 1 15 15 LYS CB C 15 32.804 32.804 33.443 -0.639 19331 1384 1 5 . 1 1 15 15 LYS H H 15 8.200 8.200 8.222 -0.022 19331 1385 1 5 . 1 1 16 16 LEU N N 16 122.670 122.670 122.163 0.507 19331 1386 1 5 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.498 -0.044 19331 1387 1 5 . 1 1 16 16 LEU C C 16 173.805 173.805 174.894 -1.089 19331 1388 1 5 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.983 0.097 19331 1389 1 5 . 1 1 16 16 LEU CB C 16 41.852 41.852 43.659 -1.807 19331 1390 1 5 . 1 1 16 16 LEU H H 16 8.394 8.394 8.288 0.106 19331 1391 1 5 . 1 1 17 17 LYS N N 17 120.445 120.445 125.645 -5.200 19331 1392 1 5 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.764 0.113 19331 1393 1 5 . 1 1 17 17 LYS C C 17 175.777 175.777 174.275 1.502 19331 1394 1 5 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.968 -1.479 19331 1395 1 5 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.509 1.645 19331 1396 1 5 . 1 1 17 17 LYS H H 17 8.026 8.026 8.822 -0.795 19331 1397 1 5 . 1 1 18 18 CYS N N 18 127.176 127.176 121.907 5.269 19331 1398 1 5 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.659 -0.432 19331 1399 1 5 . 1 1 18 18 CYS C C 18 176.551 176.551 173.208 3.343 19331 1400 1 5 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.082 2.595 19331 1401 1 5 . 1 1 18 18 CYS CB C 18 29.821 29.821 28.175 1.646 19331 1402 1 5 . 1 1 18 18 CYS H H 18 9.071 9.071 8.435 0.636 19331 1403 1 5 . 1 1 19 19 ASP N N 19 130.419 130.419 124.464 5.955 19331 1404 1 5 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.857 -0.493 19331 1405 1 5 . 1 1 19 19 ASP C C 19 175.433 175.433 175.372 0.061 19331 1406 1 5 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.507 1.164 19331 1407 1 5 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.355 -1.742 19331 1408 1 5 . 1 1 19 19 ASP H H 19 9.137 9.137 8.442 0.695 19331 1409 1 5 . 1 1 20 20 VAL N N 20 123.067 123.067 120.297 2.770 19331 1410 1 5 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.695 -0.873 19331 1411 1 5 . 1 1 20 20 VAL C C 20 177.009 177.009 175.177 1.832 19331 1412 1 5 . 1 1 20 20 VAL CA C 20 65.362 65.362 60.925 4.437 19331 1413 1 5 . 1 1 20 20 VAL CB C 20 32.970 32.970 33.057 -0.087 19331 1414 1 5 . 1 1 20 20 VAL H H 20 9.022 9.022 8.216 0.806 19331 1415 1 5 . 1 1 21 21 CYS N N 21 115.484 115.484 120.739 -5.255 19331 1416 1 5 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.797 0.318 19331 1417 1 5 . 1 1 21 21 CYS C C 21 176.178 176.178 174.999 1.179 19331 1418 1 5 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.490 -0.423 19331 1419 1 5 . 1 1 21 21 CYS CB C 21 33.096 33.096 29.054 4.042 19331 1420 1 5 . 1 1 21 21 CYS H H 21 8.092 8.092 8.488 -0.396 19331 1421 1 5 . 1 1 22 22 GLY N N 22 113.222 113.222 111.864 1.358 19331 1422 1 5 . 1 1 22 22 GLY C C 22 173.028 173.028 173.698 -0.670 19331 1423 1 5 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.827 0.915 19331 1424 1 5 . 1 1 22 22 GLY H H 22 7.931 7.931 8.430 -0.499 19331 1425 1 5 . 1 1 23 23 MET N N 23 122.930 122.930 120.295 2.635 19331 1426 1 5 . 1 1 23 23 MET HA H 23 4.075 4.075 4.525 -0.450 19331 1427 1 5 . 1 1 23 23 MET C C 23 174.950 174.950 176.334 -1.384 19331 1428 1 5 . 1 1 23 23 MET CA C 23 57.226 57.226 55.562 1.664 19331 1429 1 5 . 1 1 23 23 MET CB C 23 33.750 33.750 33.297 0.453 19331 1430 1 5 . 1 1 23 23 MET H H 23 8.276 8.276 7.741 0.535 19331 1431 1 5 . 1 1 24 24 VAL N N 24 126.800 126.800 125.013 1.787 19331 1432 1 5 . 1 1 24 24 VAL HA H 24 4.330 4.330 3.957 0.373 19331 1433 1 5 . 1 1 24 24 VAL C C 24 176.124 176.124 175.153 0.971 19331 1434 1 5 . 1 1 24 24 VAL CA C 24 62.581 62.581 63.051 -0.470 19331 1435 1 5 . 1 1 24 24 VAL CB C 24 31.843 31.843 30.980 0.863 19331 1436 1 5 . 1 1 24 24 VAL H H 24 8.466 8.466 8.582 -0.116 19331 1437 1 5 . 1 1 25 25 CYS N N 25 125.377 125.377 124.167 1.210 19331 1438 1 5 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.724 0.005 19331 1439 1 5 . 1 1 25 25 CYS C C 25 173.829 173.829 174.044 -0.215 19331 1440 1 5 . 1 1 25 25 CYS CA C 25 57.510 57.510 59.215 -1.705 19331 1441 1 5 . 1 1 25 25 CYS CB C 25 31.649 31.649 27.960 3.688 19331 1442 1 5 . 1 1 25 25 CYS H H 25 8.720 8.720 8.291 0.429 19331 1443 1 5 . 1 1 26 26 ILE N N 26 119.435 119.435 124.506 -5.071 19331 1444 1 5 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.356 -0.186 19331 1445 1 5 . 1 1 26 26 ILE C C 26 175.334 175.334 173.994 1.340 19331 1446 1 5 . 1 1 26 26 ILE CA C 26 61.946 61.946 62.803 -0.857 19331 1447 1 5 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.153 -1.283 19331 1448 1 5 . 1 1 26 26 ILE H H 26 8.407 8.407 8.282 0.125 19331 1449 1 5 . 1 1 27 27 GLY N N 27 109.455 109.455 114.575 -5.120 19331 1450 1 5 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.690 -0.092 19331 1451 1 5 . 1 1 27 27 GLY H H 27 7.444 7.444 8.146 -0.702 19331 1452 1 5 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.363 -0.183 19331 1453 1 5 . 1 1 28 28 PRO C C 28 178.526 178.526 177.309 1.217 19331 1454 1 5 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.689 2.325 19331 1455 1 5 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.397 -0.648 19331 1456 1 5 . 1 1 29 29 ASN N N 29 118.871 118.871 124.138 -5.267 19331 1457 1 5 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.462 0.112 19331 1458 1 5 . 1 1 29 29 ASN C C 29 176.925 176.925 177.489 -0.564 19331 1459 1 5 . 1 1 29 29 ASN CA C 29 56.454 56.454 55.652 0.802 19331 1460 1 5 . 1 1 29 29 ASN CB C 29 37.481 37.481 38.817 -1.336 19331 1461 1 5 . 1 1 29 29 ASN H H 29 8.722 8.722 8.847 -0.125 19331 1462 1 5 . 1 1 30 30 VAL N N 30 120.904 120.904 119.996 0.908 19331 1463 1 5 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.856 -0.139 19331 1464 1 5 . 1 1 30 30 VAL C C 30 178.526 178.526 177.470 1.056 19331 1465 1 5 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.932 0.949 19331 1466 1 5 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.647 0.193 19331 1467 1 5 . 1 1 30 30 VAL H H 30 7.475 7.475 7.968 -0.493 19331 1468 1 5 . 1 1 31 31 LEU N N 31 120.665 120.665 120.695 -0.030 19331 1469 1 5 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.076 0.391 19331 1470 1 5 . 1 1 31 31 LEU C C 31 177.379 177.379 178.047 -0.668 19331 1471 1 5 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.707 0.395 19331 1472 1 5 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.850 -0.483 19331 1473 1 5 . 1 1 31 31 LEU H H 31 7.853 7.853 7.268 0.585 19331 1474 1 5 . 1 1 32 32 MET N N 32 117.671 117.671 119.090 -1.419 19331 1475 1 5 . 1 1 32 32 MET HA H 32 4.099 4.099 4.120 -0.021 19331 1476 1 5 . 1 1 32 32 MET C C 32 178.927 178.927 178.230 0.697 19331 1477 1 5 . 1 1 32 32 MET CA C 32 59.015 59.015 59.365 -0.350 19331 1478 1 5 . 1 1 32 32 MET CB C 32 32.105 32.105 32.521 -0.416 19331 1479 1 5 . 1 1 32 32 MET H H 32 7.974 7.974 7.580 0.394 19331 1480 1 5 . 1 1 33 33 VAL N N 33 119.384 119.384 118.264 1.120 19331 1481 1 5 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.728 -0.186 19331 1482 1 5 . 1 1 33 33 VAL C C 33 179.275 179.275 176.978 2.297 19331 1483 1 5 . 1 1 33 33 VAL CA C 33 66.653 66.653 64.932 1.721 19331 1484 1 5 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.832 -0.017 19331 1485 1 5 . 1 1 33 33 VAL H H 33 7.747 7.747 7.976 -0.229 19331 1486 1 5 . 1 1 34 34 HIS N N 34 120.938 120.938 119.891 1.047 19331 1487 1 5 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.143 0.077 19331 1488 1 5 . 1 1 34 34 HIS C C 34 178.486 178.486 177.212 1.274 19331 1489 1 5 . 1 1 34 34 HIS CA C 34 59.798 59.798 60.406 -0.608 19331 1490 1 5 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.846 -1.810 19331 1491 1 5 . 1 1 34 34 HIS H H 34 8.664 8.664 8.037 0.627 19331 1492 1 5 . 1 1 35 35 LYS N N 35 119.725 119.725 119.017 0.708 19331 1493 1 5 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.031 -0.315 19331 1494 1 5 . 1 1 35 35 LYS C C 35 178.526 178.526 179.000 -0.474 19331 1495 1 5 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.612 1.054 19331 1496 1 5 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.406 -0.978 19331 1497 1 5 . 1 1 35 35 LYS H H 35 9.034 9.034 8.105 0.929 19331 1498 1 5 . 1 1 36 36 ARG N N 36 118.491 118.491 117.802 0.689 19331 1499 1 5 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.363 -0.214 19331 1500 1 5 . 1 1 36 36 ARG C C 36 177.752 177.752 179.206 -1.454 19331 1501 1 5 . 1 1 36 36 ARG CA C 36 58.107 58.107 57.078 1.029 19331 1502 1 5 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.484 0.230 19331 1503 1 5 . 1 1 36 36 ARG H H 36 7.458 7.458 7.996 -0.538 19331 1504 1 5 . 1 1 37 37 SER N N 37 113.811 113.811 114.139 -0.328 19331 1505 1 5 . 1 1 37 37 SER HA H 37 4.202 4.202 4.267 -0.065 19331 1506 1 5 . 1 1 37 37 SER C C 37 174.576 174.576 174.753 -0.177 19331 1507 1 5 . 1 1 37 37 SER CA C 37 60.412 60.412 62.175 -1.763 19331 1508 1 5 . 1 1 37 37 SER CB C 37 62.129 62.129 63.220 -1.091 19331 1509 1 5 . 1 1 37 37 SER H H 37 7.771 7.771 8.239 -0.468 19331 1510 1 5 . 1 1 38 38 HIS N N 38 118.829 118.829 119.685 -0.856 19331 1511 1 5 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.576 0.418 19331 1512 1 5 . 1 1 38 38 HIS C C 38 174.977 174.977 175.497 -0.520 19331 1513 1 5 . 1 1 38 38 HIS CA C 38 54.798 54.798 56.825 -2.027 19331 1514 1 5 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.744 -2.428 19331 1515 1 5 . 1 1 38 38 HIS H H 38 7.265 7.265 7.428 -0.163 19331 1516 1 5 . 1 1 39 39 THR N N 39 113.289 113.289 113.022 0.267 19331 1517 1 5 . 1 1 39 39 THR HA H 39 4.353 4.353 4.187 0.166 19331 1518 1 5 . 1 1 39 39 THR C C 39 174.977 174.977 175.977 -1.000 19331 1519 1 5 . 1 1 39 39 THR CA C 39 62.252 62.252 62.872 -0.620 19331 1520 1 5 . 1 1 39 39 THR CB C 39 69.773 69.773 68.151 1.622 19331 1521 1 5 . 1 1 39 39 THR H H 39 7.814 7.814 7.983 -0.169 19331 1522 1 5 . 1 1 40 40 GLY N N 40 110.879 110.879 116.497 -5.618 19331 1523 1 5 . 1 1 40 40 GLY C C 40 173.802 173.802 173.716 0.086 19331 1524 1 5 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.048 0.125 19331 1525 1 5 . 1 1 40 40 GLY H H 40 8.425 8.425 8.323 0.102 19331 1526 1 5 . 1 1 41 41 GLU N N 41 120.081 120.081 120.974 -0.893 19331 1527 1 5 . 1 1 41 41 GLU HA H 41 4.222 4.222 3.805 0.417 19331 1528 1 5 . 1 1 41 41 GLU C C 41 176.151 176.151 175.347 0.804 19331 1529 1 5 . 1 1 41 41 GLU CA C 41 56.710 56.710 57.092 -0.382 19331 1530 1 5 . 1 1 41 41 GLU CB C 41 30.550 30.550 28.417 2.133 19331 1531 1 5 . 1 1 41 41 GLU H H 41 8.127 8.127 8.068 0.059 19331 1532 1 5 . 1 1 42 42 ARG N N 42 121.379 121.379 122.702 -1.323 19331 1533 1 5 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.691 -0.161 19331 1534 1 5 . 1 1 42 42 ARG CA C 42 53.378 53.378 52.004 1.374 19331 1535 1 5 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.087 -0.062 19331 1536 1 5 . 1 1 42 42 ARG H H 42 8.370 8.370 7.739 0.631 19331 1537 1 5 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.305 -0.045 19331 1538 1 5 . 1 1 43 43 PRO C C 43 176.151 176.151 175.389 0.762 19331 1539 1 5 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.190 1.462 19331 1540 1 5 . 1 1 43 43 PRO CB C 43 32.069 32.069 30.341 1.728 19331 1541 1 5 . 1 1 44 44 PHE N N 44 116.589 116.589 123.047 -6.458 19331 1542 1 5 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.260 0.585 19331 1543 1 5 . 1 1 44 44 PHE C C 44 174.603 174.603 176.288 -1.685 19331 1544 1 5 . 1 1 44 44 PHE CA C 44 57.080 57.080 59.095 -2.015 19331 1545 1 5 . 1 1 44 44 PHE CB C 44 39.654 39.654 39.013 0.641 19331 1546 1 5 . 1 1 44 44 PHE H H 44 7.659 7.659 7.597 0.062 19331 1547 1 5 . 1 1 45 45 HIS N N 45 121.791 121.791 123.572 -1.781 19331 1548 1 5 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.841 0.450 19331 1549 1 5 . 1 1 45 45 HIS C C 45 172.655 172.655 175.871 -3.216 19331 1550 1 5 . 1 1 45 45 HIS CA C 45 54.560 54.560 56.915 -2.355 19331 1551 1 5 . 1 1 45 45 HIS CB C 45 31.774 31.774 30.680 1.094 19331 1552 1 5 . 1 1 45 45 HIS H H 45 9.070 9.070 8.249 0.821 19331 1553 1 5 . 1 1 46 46 CYS N N 46 125.392 125.392 126.149 -0.757 19331 1554 1 5 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.452 0.090 19331 1555 1 5 . 1 1 46 46 CYS C C 46 176.525 176.525 174.885 1.640 19331 1556 1 5 . 1 1 46 46 CYS CA C 46 59.233 59.233 61.203 -1.970 19331 1557 1 5 . 1 1 46 46 CYS CB C 46 29.948 29.948 27.724 2.224 19331 1558 1 5 . 1 1 46 46 CYS H H 46 9.189 9.189 9.004 0.185 19331 1559 1 5 . 1 1 47 47 ASN N N 47 128.827 128.827 115.567 13.260 19331 1560 1 5 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.679 0.018 19331 1561 1 5 . 1 1 47 47 ASN C C 47 175.433 175.433 174.809 0.624 19331 1562 1 5 . 1 1 47 47 ASN CA C 47 54.982 54.982 54.481 0.501 19331 1563 1 5 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.019 0.218 19331 1564 1 5 . 1 1 47 47 ASN H H 47 9.302 9.302 8.688 0.614 19331 1565 1 5 . 1 1 48 48 GLN N N 48 120.952 120.952 119.475 1.477 19331 1566 1 5 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.389 -0.082 19331 1567 1 5 . 1 1 48 48 GLN C C 48 176.151 176.151 176.070 0.081 19331 1568 1 5 . 1 1 48 48 GLN CA C 48 57.832 57.832 56.641 1.191 19331 1569 1 5 . 1 1 48 48 GLN CB C 48 29.163 29.163 29.165 -0.002 19331 1570 1 5 . 1 1 48 48 GLN H H 48 9.139 9.139 8.370 0.769 19331 1571 1 5 . 1 1 49 49 CYS N N 49 116.176 116.176 118.317 -2.141 19331 1572 1 5 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.775 0.374 19331 1573 1 5 . 1 1 49 49 CYS C C 49 175.430 175.430 176.358 -0.928 19331 1574 1 5 . 1 1 49 49 CYS CA C 49 58.349 58.349 57.895 0.453 19331 1575 1 5 . 1 1 49 49 CYS CB C 49 32.264 32.264 25.389 6.875 19331 1576 1 5 . 1 1 49 49 CYS H H 49 8.117 8.117 8.408 -0.291 19331 1577 1 5 . 1 1 50 50 GLY N N 50 111.724 111.724 109.452 2.272 19331 1578 1 5 . 1 1 50 50 GLY C C 50 173.758 173.758 174.169 -0.411 19331 1579 1 5 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.157 0.734 19331 1580 1 5 . 1 1 50 50 GLY H H 50 8.142 8.142 8.357 -0.215 19331 1581 1 5 . 1 1 51 51 ALA N N 51 126.041 126.041 124.102 1.939 19331 1582 1 5 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.108 -0.021 19331 1583 1 5 . 1 1 51 51 ALA C C 51 175.350 175.350 175.988 -0.638 19331 1584 1 5 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.905 1.600 19331 1585 1 5 . 1 1 51 51 ALA CB C 51 19.611 19.611 19.275 0.336 19331 1586 1 5 . 1 1 51 51 ALA H H 51 8.420 8.420 7.467 0.953 19331 1587 1 5 . 1 1 52 52 SER N N 52 113.511 113.511 116.137 -2.626 19331 1588 1 5 . 1 1 52 52 SER HA H 52 5.255 5.255 5.218 0.037 19331 1589 1 5 . 1 1 52 52 SER C C 52 173.002 173.002 172.846 0.156 19331 1590 1 5 . 1 1 52 52 SER CA C 52 56.680 56.680 56.900 -0.220 19331 1591 1 5 . 1 1 52 52 SER CB C 52 65.958 65.958 65.460 0.497 19331 1592 1 5 . 1 1 52 52 SER H H 52 7.829 7.829 7.532 0.297 19331 1593 1 5 . 1 1 53 53 PHE N N 53 117.376 117.376 123.256 -5.880 19331 1594 1 5 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.738 0.140 19331 1595 1 5 . 1 1 53 53 PHE C C 53 174.977 174.977 176.170 -1.193 19331 1596 1 5 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.760 -0.204 19331 1597 1 5 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.210 1.664 19331 1598 1 5 . 1 1 53 53 PHE H H 53 8.802 8.802 8.928 -0.126 19331 1599 1 5 . 1 1 54 54 THR N N 54 114.290 114.290 116.625 -2.335 19331 1600 1 5 . 1 1 54 54 THR HA H 54 4.553 4.553 4.310 0.243 19331 1601 1 5 . 1 1 54 54 THR C C 54 174.229 174.229 175.153 -0.924 19331 1602 1 5 . 1 1 54 54 THR CA C 54 63.789 63.789 62.879 0.910 19331 1603 1 5 . 1 1 54 54 THR CB C 54 69.491 69.491 69.022 0.469 19331 1604 1 5 . 1 1 54 54 THR H H 54 9.129 9.129 8.587 0.542 19331 1605 1 5 . 1 1 55 55 GLN N N 55 117.684 117.684 120.922 -3.238 19331 1606 1 5 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.584 0.200 19331 1607 1 5 . 1 1 55 55 GLN C C 55 176.124 176.124 176.455 -0.331 19331 1608 1 5 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.646 -0.581 19331 1609 1 5 . 1 1 55 55 GLN CB C 55 31.444 31.444 28.474 2.970 19331 1610 1 5 . 1 1 55 55 GLN H H 55 7.563 7.563 8.400 -0.837 19331 1611 1 5 . 1 1 56 56 LYS N N 56 127.497 127.497 126.132 1.365 19331 1612 1 5 . 1 1 56 56 LYS HA H 56 2.791 2.791 4.023 -1.232 19331 1613 1 5 . 1 1 56 56 LYS C C 56 178.179 178.179 177.981 0.198 19331 1614 1 5 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.078 0.219 19331 1615 1 5 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.826 -0.092 19331 1616 1 5 . 1 1 56 56 LYS H H 56 8.680 8.680 8.801 -0.121 19331 1617 1 5 . 1 1 57 57 GLY N N 57 105.111 105.111 108.102 -2.991 19331 1618 1 5 . 1 1 57 57 GLY C C 57 176.204 176.204 175.807 0.397 19331 1619 1 5 . 1 1 57 57 GLY CA C 57 47.070 47.070 46.961 0.109 19331 1620 1 5 . 1 1 57 57 GLY H H 57 8.900 8.900 8.855 0.045 19331 1621 1 5 . 1 1 58 58 ASN N N 58 117.732 117.732 120.376 -2.644 19331 1622 1 5 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.355 0.093 19331 1623 1 5 . 1 1 58 58 ASN C C 58 177.325 177.325 176.869 0.456 19331 1624 1 5 . 1 1 58 58 ASN CA C 58 54.912 54.912 54.829 0.083 19331 1625 1 5 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.766 -0.304 19331 1626 1 5 . 1 1 58 58 ASN H H 58 6.958 6.958 7.479 -0.521 19331 1627 1 5 . 1 1 59 59 LEU N N 59 123.027 123.027 122.557 0.470 19331 1628 1 5 . 1 1 59 59 LEU HA H 59 3.126 3.126 4.062 -0.936 19331 1629 1 5 . 1 1 59 59 LEU C C 59 177.352 177.352 177.843 -0.491 19331 1630 1 5 . 1 1 59 59 LEU CA C 59 57.659 57.659 58.360 -0.701 19331 1631 1 5 . 1 1 59 59 LEU CB C 59 39.910 39.910 42.053 -2.143 19331 1632 1 5 . 1 1 59 59 LEU H H 59 6.885 6.885 7.930 -1.045 19331 1633 1 5 . 1 1 60 60 LEU N N 60 117.860 117.860 117.526 0.334 19331 1634 1 5 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.869 0.027 19331 1635 1 5 . 1 1 60 60 LEU C C 60 179.669 179.669 179.226 0.443 19331 1636 1 5 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.735 0.403 19331 1637 1 5 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.180 -0.548 19331 1638 1 5 . 1 1 60 60 LEU H H 60 8.078 8.078 7.952 0.126 19331 1639 1 5 . 1 1 61 61 ARG N N 61 117.382 117.382 118.803 -1.421 19331 1640 1 5 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.872 0.056 19331 1641 1 5 . 1 1 61 61 ARG C C 61 177.752 177.752 178.167 -0.415 19331 1642 1 5 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.730 0.528 19331 1643 1 5 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.655 0.691 19331 1644 1 5 . 1 1 61 61 ARG H H 61 7.414 7.414 7.465 -0.051 19331 1645 1 5 . 1 1 62 62 HIS N N 62 119.118 119.118 119.124 -0.006 19331 1646 1 5 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.289 -0.178 19331 1647 1 5 . 1 1 62 62 HIS C C 62 176.978 176.978 177.664 -0.686 19331 1648 1 5 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.560 0.006 19331 1649 1 5 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.223 -1.665 19331 1650 1 5 . 1 1 62 62 HIS H H 62 7.360 7.360 7.609 -0.249 19331 1651 1 5 . 1 1 63 63 ILE N N 63 116.662 116.662 115.703 0.959 19331 1652 1 5 . 1 1 63 63 ILE HA H 63 3.669 3.669 3.573 0.096 19331 1653 1 5 . 1 1 63 63 ILE C C 63 178.526 178.526 177.327 1.199 19331 1654 1 5 . 1 1 63 63 ILE CA C 63 65.875 65.875 63.770 2.106 19331 1655 1 5 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.835 0.250 19331 1656 1 5 . 1 1 63 63 ILE H H 63 8.500 8.500 8.284 0.216 19331 1657 1 5 . 1 1 64 64 LYS N N 64 119.456 119.456 120.067 -0.611 19331 1658 1 5 . 1 1 64 64 LYS HA H 64 4.068 4.068 3.897 0.171 19331 1659 1 5 . 1 1 64 64 LYS C C 64 178.553 178.553 178.726 -0.173 19331 1660 1 5 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.423 -0.756 19331 1661 1 5 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.111 -0.107 19331 1662 1 5 . 1 1 64 64 LYS H H 64 7.174 7.174 7.351 -0.177 19331 1663 1 5 . 1 1 65 65 LEU N N 65 118.539 118.539 115.066 3.473 19331 1664 1 5 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.060 0.004 19331 1665 1 5 . 1 1 65 65 LEU C C 65 178.980 178.980 178.862 0.118 19331 1666 1 5 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.598 -0.991 19331 1667 1 5 . 1 1 65 65 LEU CB C 65 40.977 40.977 42.042 -1.065 19331 1668 1 5 . 1 1 65 65 LEU H H 65 7.744 7.744 7.355 0.389 19331 1669 1 5 . 1 1 66 66 HIS N N 66 115.422 115.422 111.229 4.193 19331 1670 1 5 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.739 -0.006 19331 1671 1 5 . 1 1 66 66 HIS C C 66 175.671 175.671 176.466 -0.795 19331 1672 1 5 . 1 1 66 66 HIS CA C 66 56.128 56.128 54.941 1.187 19331 1673 1 5 . 1 1 66 66 HIS CB C 66 28.573 28.573 29.212 -0.639 19331 1674 1 5 . 1 1 66 66 HIS H H 66 7.357 7.357 7.540 -0.183 19331 1675 1 5 . 1 1 67 67 SER N N 67 115.047 115.047 117.022 -1.975 19331 1676 1 5 . 1 1 67 67 SER HA H 67 4.459 4.459 4.098 0.361 19331 1677 1 5 . 1 1 67 67 SER C C 67 175.003 175.003 175.341 -0.338 19331 1678 1 5 . 1 1 67 67 SER CA C 67 59.246 59.246 59.728 -0.482 19331 1679 1 5 . 1 1 67 67 SER CB C 67 63.693 63.693 63.620 0.073 19331 1680 1 5 . 1 1 67 67 SER H H 67 7.859 7.859 7.571 0.288 19331 1681 1 5 . 1 1 68 68 GLY N N 68 110.437 110.437 108.191 2.246 19331 1682 1 5 . 1 1 68 68 GLY C C 68 173.812 173.812 172.954 0.858 19331 1683 1 5 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.102 0.205 19331 1684 1 5 . 1 1 68 68 GLY H H 68 8.281 8.281 7.540 0.741 19331 1685 1 5 . 1 1 69 69 GLU N N 69 120.321 120.321 119.336 0.985 19331 1686 1 5 . 1 1 69 69 GLU HA H 69 4.280 4.280 3.972 0.308 19331 1687 1 5 . 1 1 69 69 GLU C C 69 176.124 176.124 175.210 0.914 19331 1688 1 5 . 1 1 69 69 GLU CA C 69 56.393 56.393 57.361 -0.968 19331 1689 1 5 . 1 1 69 69 GLU CB C 69 30.396 30.396 28.544 1.852 19331 1690 1 5 . 1 1 69 69 GLU H H 69 8.069 8.069 8.464 -0.395 19331 1691 1 5 . 1 1 70 70 LYS N N 70 123.278 123.278 124.435 -1.157 19331 1692 1 5 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.793 -0.199 19331 1693 1 5 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.069 0.996 19331 1694 1 5 . 1 1 70 70 LYS CB C 70 32.557 32.557 34.142 -1.585 19331 1695 1 5 . 1 1 70 70 LYS H H 70 8.349 8.349 7.760 0.589 19331 1696 1 5 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.374 0.017 19331 1697 1 5 . 1 1 71 71 PRO C C 71 176.178 176.178 177.293 -1.115 19331 1698 1 5 . 1 1 71 71 PRO CA C 71 63.143 63.143 63.048 0.095 19331 1699 1 5 . 1 1 71 71 PRO CB C 71 31.837 31.837 31.991 -0.154 19331 1700 1 5 . 1 1 72 72 PHE N N 72 120.324 120.324 125.678 -5.354 19331 1701 1 5 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.100 0.506 19331 1702 1 5 . 1 1 72 72 PHE C C 72 174.546 174.546 176.442 -1.896 19331 1703 1 5 . 1 1 72 72 PHE CA C 72 57.543 57.543 61.043 -3.500 19331 1704 1 5 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.327 0.174 19331 1705 1 5 . 1 1 72 72 PHE H H 72 8.177 8.177 8.668 -0.491 19331 1706 1 6 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.618 -0.358 19331 1707 1 6 . 1 1 12 12 PRO C C 12 175.377 175.377 175.618 -0.241 19331 1708 1 6 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.849 0.536 19331 1709 1 6 . 1 1 12 12 PRO CB C 12 32.069 32.069 31.645 0.423 19331 1710 1 6 . 1 1 13 13 ASN N N 13 123.885 123.885 121.072 2.813 19331 1711 1 6 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.772 -0.308 19331 1712 1 6 . 1 1 13 13 ASN C C 13 176.178 176.178 174.483 1.695 19331 1713 1 6 . 1 1 13 13 ASN CA C 13 54.834 54.834 53.633 1.201 19331 1714 1 6 . 1 1 13 13 ASN CB C 13 41.005 41.005 40.223 0.782 19331 1715 1 6 . 1 1 13 13 ASN H H 13 8.001 8.001 8.454 -0.453 19331 1716 1 6 . 1 1 14 14 GLY N N 14 113.831 113.831 110.557 3.274 19331 1717 1 6 . 1 1 14 14 GLY C C 14 174.152 174.152 173.932 0.220 19331 1718 1 6 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.035 0.331 19331 1719 1 6 . 1 1 14 14 GLY H H 14 8.367 8.367 8.481 -0.114 19331 1720 1 6 . 1 1 15 15 LYS N N 15 119.903 119.903 123.307 -3.404 19331 1721 1 6 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.529 -0.232 19331 1722 1 6 . 1 1 15 15 LYS C C 15 176.217 176.217 176.173 0.044 19331 1723 1 6 . 1 1 15 15 LYS CA C 15 56.921 56.921 56.591 0.330 19331 1724 1 6 . 1 1 15 15 LYS CB C 15 32.804 32.804 32.547 0.258 19331 1725 1 6 . 1 1 15 15 LYS H H 15 8.200 8.200 8.466 -0.266 19331 1726 1 6 . 1 1 16 16 LEU N N 16 122.670 122.670 121.595 1.075 19331 1727 1 6 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.855 -0.401 19331 1728 1 6 . 1 1 16 16 LEU C C 16 173.805 173.805 175.436 -1.631 19331 1729 1 6 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.234 0.846 19331 1730 1 6 . 1 1 16 16 LEU CB C 16 41.852 41.852 44.153 -2.301 19331 1731 1 6 . 1 1 16 16 LEU H H 16 8.394 8.394 8.456 -0.062 19331 1732 1 6 . 1 1 17 17 LYS N N 17 120.445 120.445 123.821 -3.376 19331 1733 1 6 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.501 0.376 19331 1734 1 6 . 1 1 17 17 LYS C C 17 175.777 175.777 174.746 1.031 19331 1735 1 6 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.970 -1.481 19331 1736 1 6 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.708 1.446 19331 1737 1 6 . 1 1 17 17 LYS H H 17 8.026 8.026 8.643 -0.617 19331 1738 1 6 . 1 1 18 18 CYS N N 18 127.176 127.176 121.567 5.609 19331 1739 1 6 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.908 -0.681 19331 1740 1 6 . 1 1 18 18 CYS C C 18 176.551 176.551 174.124 2.427 19331 1741 1 6 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.199 2.478 19331 1742 1 6 . 1 1 18 18 CYS CB C 18 29.821 29.821 29.722 0.099 19331 1743 1 6 . 1 1 18 18 CYS H H 18 9.071 9.071 8.636 0.435 19331 1744 1 6 . 1 1 19 19 ASP N N 19 130.419 130.419 121.116 9.303 19331 1745 1 6 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.852 -0.488 19331 1746 1 6 . 1 1 19 19 ASP C C 19 175.433 175.433 177.007 -1.574 19331 1747 1 6 . 1 1 19 19 ASP CA C 19 55.671 55.671 53.783 1.888 19331 1748 1 6 . 1 1 19 19 ASP CB C 19 39.613 39.613 42.844 -3.231 19331 1749 1 6 . 1 1 19 19 ASP H H 19 9.137 9.137 8.459 0.678 19331 1750 1 6 . 1 1 20 20 VAL N N 20 123.067 123.067 118.845 4.222 19331 1751 1 6 . 1 1 20 20 VAL HA H 20 3.822 3.822 3.882 -0.060 19331 1752 1 6 . 1 1 20 20 VAL C C 20 177.009 177.009 177.102 -0.093 19331 1753 1 6 . 1 1 20 20 VAL CA C 20 65.362 65.362 63.802 1.560 19331 1754 1 6 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.002 0.968 19331 1755 1 6 . 1 1 20 20 VAL H H 20 9.022 9.022 8.552 0.470 19331 1756 1 6 . 1 1 21 21 CYS N N 21 115.484 115.484 116.991 -1.507 19331 1757 1 6 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.067 1.048 19331 1758 1 6 . 1 1 21 21 CYS C C 21 176.178 176.178 176.609 -0.431 19331 1759 1 6 . 1 1 21 21 CYS CA C 21 58.067 58.067 61.035 -2.968 19331 1760 1 6 . 1 1 21 21 CYS CB C 21 33.096 33.096 25.569 7.527 19331 1761 1 6 . 1 1 21 21 CYS H H 21 8.092 8.092 8.808 -0.716 19331 1762 1 6 . 1 1 22 22 GLY N N 22 113.222 113.222 109.230 3.992 19331 1763 1 6 . 1 1 22 22 GLY C C 22 173.028 173.028 173.078 -0.050 19331 1764 1 6 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.678 1.063 19331 1765 1 6 . 1 1 22 22 GLY H H 22 7.931 7.931 8.218 -0.287 19331 1766 1 6 . 1 1 23 23 MET N N 23 122.930 122.930 121.717 1.213 19331 1767 1 6 . 1 1 23 23 MET HA H 23 4.075 4.075 4.488 -0.413 19331 1768 1 6 . 1 1 23 23 MET C C 23 174.950 174.950 175.883 -0.933 19331 1769 1 6 . 1 1 23 23 MET CA C 23 57.226 57.226 55.881 1.345 19331 1770 1 6 . 1 1 23 23 MET CB C 23 33.750 33.750 32.674 1.076 19331 1771 1 6 . 1 1 23 23 MET H H 23 8.276 8.276 7.759 0.517 19331 1772 1 6 . 1 1 24 24 VAL N N 24 126.800 126.800 127.388 -0.588 19331 1773 1 6 . 1 1 24 24 VAL HA H 24 4.330 4.330 3.799 0.531 19331 1774 1 6 . 1 1 24 24 VAL C C 24 176.124 176.124 174.732 1.392 19331 1775 1 6 . 1 1 24 24 VAL CA C 24 62.581 62.581 63.547 -0.966 19331 1776 1 6 . 1 1 24 24 VAL CB C 24 31.843 31.843 30.262 1.581 19331 1777 1 6 . 1 1 24 24 VAL H H 24 8.466 8.466 8.786 -0.320 19331 1778 1 6 . 1 1 25 25 CYS N N 25 125.377 125.377 125.798 -0.421 19331 1779 1 6 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.737 -0.008 19331 1780 1 6 . 1 1 25 25 CYS C C 25 173.829 173.829 174.370 -0.541 19331 1781 1 6 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.125 -0.615 19331 1782 1 6 . 1 1 25 25 CYS CB C 25 31.649 31.649 26.758 4.891 19331 1783 1 6 . 1 1 25 25 CYS H H 25 8.720 8.720 8.481 0.239 19331 1784 1 6 . 1 1 26 26 ILE N N 26 119.435 119.435 120.818 -1.383 19331 1785 1 6 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.605 -0.435 19331 1786 1 6 . 1 1 26 26 ILE C C 26 175.334 175.334 174.948 0.386 19331 1787 1 6 . 1 1 26 26 ILE CA C 26 61.946 61.946 60.992 0.954 19331 1788 1 6 . 1 1 26 26 ILE CB C 26 37.870 37.870 40.579 -2.709 19331 1789 1 6 . 1 1 26 26 ILE H H 26 8.407 8.407 7.759 0.648 19331 1790 1 6 . 1 1 27 27 GLY N N 27 109.455 109.455 110.657 -1.202 19331 1791 1 6 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.856 -0.258 19331 1792 1 6 . 1 1 27 27 GLY H H 27 7.444 7.444 8.465 -1.021 19331 1793 1 6 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.579 -0.399 19331 1794 1 6 . 1 1 28 28 PRO C C 28 178.526 178.526 176.607 1.919 19331 1795 1 6 . 1 1 28 28 PRO CA C 28 65.014 65.014 61.542 3.472 19331 1796 1 6 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.628 -0.880 19331 1797 1 6 . 1 1 29 29 ASN N N 29 118.871 118.871 119.900 -1.029 19331 1798 1 6 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.749 -0.175 19331 1799 1 6 . 1 1 29 29 ASN C C 29 176.925 176.925 176.383 0.542 19331 1800 1 6 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.697 3.757 19331 1801 1 6 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.336 0.145 19331 1802 1 6 . 1 1 29 29 ASN H H 29 8.722 8.722 8.533 0.189 19331 1803 1 6 . 1 1 30 30 VAL N N 30 120.904 120.904 119.879 1.025 19331 1804 1 6 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.905 -0.188 19331 1805 1 6 . 1 1 30 30 VAL C C 30 178.526 178.526 176.934 1.592 19331 1806 1 6 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.599 1.282 19331 1807 1 6 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.972 -0.132 19331 1808 1 6 . 1 1 30 30 VAL H H 30 7.475 7.475 7.754 -0.279 19331 1809 1 6 . 1 1 31 31 LEU N N 31 120.665 120.665 120.671 -0.006 19331 1810 1 6 . 1 1 31 31 LEU HA H 31 4.467 4.467 3.957 0.510 19331 1811 1 6 . 1 1 31 31 LEU C C 31 177.379 177.379 179.146 -1.767 19331 1812 1 6 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.348 0.754 19331 1813 1 6 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.363 0.004 19331 1814 1 6 . 1 1 31 31 LEU H H 31 7.853 7.853 7.504 0.349 19331 1815 1 6 . 1 1 32 32 MET N N 32 117.671 117.671 118.792 -1.121 19331 1816 1 6 . 1 1 32 32 MET HA H 32 4.099 4.099 4.217 -0.118 19331 1817 1 6 . 1 1 32 32 MET C C 32 178.927 178.927 178.100 0.827 19331 1818 1 6 . 1 1 32 32 MET CA C 32 59.015 59.015 57.799 1.216 19331 1819 1 6 . 1 1 32 32 MET CB C 32 32.105 32.105 32.054 0.051 19331 1820 1 6 . 1 1 32 32 MET H H 32 7.974 7.974 8.256 -0.282 19331 1821 1 6 . 1 1 33 33 VAL N N 33 119.384 119.384 119.980 -0.596 19331 1822 1 6 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.516 0.026 19331 1823 1 6 . 1 1 33 33 VAL C C 33 179.275 179.275 176.966 2.309 19331 1824 1 6 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.137 0.516 19331 1825 1 6 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.844 -0.029 19331 1826 1 6 . 1 1 33 33 VAL H H 33 7.747 7.747 7.738 0.009 19331 1827 1 6 . 1 1 34 34 HIS N N 34 120.938 120.938 117.782 3.156 19331 1828 1 6 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.020 0.200 19331 1829 1 6 . 1 1 34 34 HIS C C 34 178.486 178.486 177.440 1.046 19331 1830 1 6 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.791 0.007 19331 1831 1 6 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.791 -1.755 19331 1832 1 6 . 1 1 34 34 HIS H H 34 8.664 8.664 7.691 0.973 19331 1833 1 6 . 1 1 35 35 LYS N N 35 119.725 119.725 120.125 -0.400 19331 1834 1 6 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.195 -0.479 19331 1835 1 6 . 1 1 35 35 LYS C C 35 178.526 178.526 179.221 -0.695 19331 1836 1 6 . 1 1 35 35 LYS CA C 35 60.666 60.666 58.206 2.460 19331 1837 1 6 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.101 -0.673 19331 1838 1 6 . 1 1 35 35 LYS H H 35 9.034 9.034 7.803 1.231 19331 1839 1 6 . 1 1 36 36 ARG N N 36 118.491 118.491 117.360 1.131 19331 1840 1 6 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.150 -0.001 19331 1841 1 6 . 1 1 36 36 ARG C C 36 177.752 177.752 177.617 0.135 19331 1842 1 6 . 1 1 36 36 ARG CA C 36 58.107 58.107 57.890 0.217 19331 1843 1 6 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.802 -0.088 19331 1844 1 6 . 1 1 36 36 ARG H H 36 7.458 7.458 8.135 -0.677 19331 1845 1 6 . 1 1 37 37 SER N N 37 113.811 113.811 112.974 0.837 19331 1846 1 6 . 1 1 37 37 SER HA H 37 4.202 4.202 4.265 -0.063 19331 1847 1 6 . 1 1 37 37 SER C C 37 174.576 174.576 175.560 -0.984 19331 1848 1 6 . 1 1 37 37 SER CA C 37 60.412 60.412 60.759 -0.347 19331 1849 1 6 . 1 1 37 37 SER CB C 37 62.129 62.129 63.428 -1.299 19331 1850 1 6 . 1 1 37 37 SER H H 37 7.771 7.771 7.553 0.218 19331 1851 1 6 . 1 1 38 38 HIS N N 38 118.829 118.829 120.982 -2.153 19331 1852 1 6 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.582 0.412 19331 1853 1 6 . 1 1 38 38 HIS C C 38 174.977 174.977 174.676 0.301 19331 1854 1 6 . 1 1 38 38 HIS CA C 38 54.798 54.798 55.002 -0.204 19331 1855 1 6 . 1 1 38 38 HIS CB C 38 28.317 28.317 28.306 0.011 19331 1856 1 6 . 1 1 38 38 HIS H H 38 7.265 7.265 7.332 -0.067 19331 1857 1 6 . 1 1 39 39 THR N N 39 113.289 113.289 116.367 -3.078 19331 1858 1 6 . 1 1 39 39 THR HA H 39 4.353 4.353 4.401 -0.048 19331 1859 1 6 . 1 1 39 39 THR C C 39 174.977 174.977 175.000 -0.023 19331 1860 1 6 . 1 1 39 39 THR CA C 39 62.252 62.252 62.161 0.091 19331 1861 1 6 . 1 1 39 39 THR CB C 39 69.773 69.773 68.174 1.599 19331 1862 1 6 . 1 1 39 39 THR H H 39 7.814 7.814 7.893 -0.079 19331 1863 1 6 . 1 1 40 40 GLY N N 40 110.879 110.879 112.825 -1.946 19331 1864 1 6 . 1 1 40 40 GLY C C 40 173.802 173.802 173.901 -0.099 19331 1865 1 6 . 1 1 40 40 GLY CA C 40 45.173 45.173 44.507 0.666 19331 1866 1 6 . 1 1 40 40 GLY H H 40 8.425 8.425 7.998 0.427 19331 1867 1 6 . 1 1 41 41 GLU N N 41 120.081 120.081 122.579 -2.498 19331 1868 1 6 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.145 0.077 19331 1869 1 6 . 1 1 41 41 GLU C C 41 176.151 176.151 176.276 -0.125 19331 1870 1 6 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.527 0.183 19331 1871 1 6 . 1 1 41 41 GLU CB C 41 30.550 30.550 30.313 0.237 19331 1872 1 6 . 1 1 41 41 GLU H H 41 8.127 8.127 8.556 -0.429 19331 1873 1 6 . 1 1 42 42 ARG N N 42 121.379 121.379 125.078 -3.699 19331 1874 1 6 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.101 0.429 19331 1875 1 6 . 1 1 42 42 ARG CA C 42 53.378 53.378 54.611 -1.233 19331 1876 1 6 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.241 -0.216 19331 1877 1 6 . 1 1 42 42 ARG H H 42 8.370 8.370 8.125 0.245 19331 1878 1 6 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.398 -0.138 19331 1879 1 6 . 1 1 43 43 PRO C C 43 176.151 176.151 175.718 0.433 19331 1880 1 6 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.961 0.691 19331 1881 1 6 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.043 1.026 19331 1882 1 6 . 1 1 44 44 PHE N N 44 116.589 116.589 124.389 -7.800 19331 1883 1 6 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.384 0.461 19331 1884 1 6 . 1 1 44 44 PHE C C 44 174.603 174.603 175.348 -0.745 19331 1885 1 6 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.662 -0.582 19331 1886 1 6 . 1 1 44 44 PHE CB C 44 39.654 39.654 37.431 2.223 19331 1887 1 6 . 1 1 44 44 PHE H H 44 7.659 7.659 7.992 -0.333 19331 1888 1 6 . 1 1 45 45 HIS N N 45 121.791 121.791 119.783 2.008 19331 1889 1 6 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.031 0.260 19331 1890 1 6 . 1 1 45 45 HIS C C 45 172.655 172.655 174.184 -1.529 19331 1891 1 6 . 1 1 45 45 HIS CA C 45 54.560 54.560 53.598 0.962 19331 1892 1 6 . 1 1 45 45 HIS CB C 45 31.774 31.774 30.930 0.844 19331 1893 1 6 . 1 1 45 45 HIS H H 45 9.070 9.070 7.920 1.150 19331 1894 1 6 . 1 1 46 46 CYS N N 46 125.392 125.392 124.638 0.754 19331 1895 1 6 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.700 -0.158 19331 1896 1 6 . 1 1 46 46 CYS C C 46 176.525 176.525 175.459 1.066 19331 1897 1 6 . 1 1 46 46 CYS CA C 46 59.233 59.233 58.244 0.989 19331 1898 1 6 . 1 1 46 46 CYS CB C 46 29.948 29.948 27.861 2.087 19331 1899 1 6 . 1 1 46 46 CYS H H 46 9.189 9.189 8.547 0.642 19331 1900 1 6 . 1 1 47 47 ASN N N 47 128.827 128.827 126.124 2.703 19331 1901 1 6 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.593 0.104 19331 1902 1 6 . 1 1 47 47 ASN C C 47 175.433 175.433 177.127 -1.694 19331 1903 1 6 . 1 1 47 47 ASN CA C 47 54.982 54.982 56.207 -1.225 19331 1904 1 6 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.594 -0.357 19331 1905 1 6 . 1 1 47 47 ASN H H 47 9.302 9.302 9.022 0.280 19331 1906 1 6 . 1 1 48 48 GLN N N 48 120.952 120.952 119.168 1.784 19331 1907 1 6 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.356 -0.049 19331 1908 1 6 . 1 1 48 48 GLN C C 48 176.151 176.151 175.883 0.268 19331 1909 1 6 . 1 1 48 48 GLN CA C 48 57.832 57.832 57.867 -0.035 19331 1910 1 6 . 1 1 48 48 GLN CB C 48 29.163 29.163 27.577 1.586 19331 1911 1 6 . 1 1 48 48 GLN H H 48 9.139 9.139 8.725 0.414 19331 1912 1 6 . 1 1 49 49 CYS N N 49 116.176 116.176 117.856 -1.680 19331 1913 1 6 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.798 0.351 19331 1914 1 6 . 1 1 49 49 CYS C C 49 175.430 175.430 176.012 -0.582 19331 1915 1 6 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.032 -0.683 19331 1916 1 6 . 1 1 49 49 CYS CB C 49 32.264 32.264 27.298 4.966 19331 1917 1 6 . 1 1 49 49 CYS H H 49 8.117 8.117 8.018 0.099 19331 1918 1 6 . 1 1 50 50 GLY N N 50 111.724 111.724 108.879 2.845 19331 1919 1 6 . 1 1 50 50 GLY C C 50 173.758 173.758 173.508 0.250 19331 1920 1 6 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.150 0.741 19331 1921 1 6 . 1 1 50 50 GLY H H 50 8.142 8.142 7.969 0.173 19331 1922 1 6 . 1 1 51 51 ALA N N 51 126.041 126.041 122.895 3.146 19331 1923 1 6 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.424 -0.337 19331 1924 1 6 . 1 1 51 51 ALA C C 51 175.350 175.350 175.344 0.006 19331 1925 1 6 . 1 1 51 51 ALA CA C 51 53.505 53.505 50.739 2.765 19331 1926 1 6 . 1 1 51 51 ALA CB C 51 19.611 19.611 20.148 -0.536 19331 1927 1 6 . 1 1 51 51 ALA H H 51 8.420 8.420 7.405 1.015 19331 1928 1 6 . 1 1 52 52 SER N N 52 113.511 113.511 118.978 -5.467 19331 1929 1 6 . 1 1 52 52 SER HA H 52 5.255 5.255 4.458 0.797 19331 1930 1 6 . 1 1 52 52 SER C C 52 173.002 173.002 172.746 0.256 19331 1931 1 6 . 1 1 52 52 SER CA C 52 56.680 56.680 57.080 -0.400 19331 1932 1 6 . 1 1 52 52 SER CB C 52 65.958 65.958 64.021 1.937 19331 1933 1 6 . 1 1 52 52 SER H H 52 7.829 7.829 8.263 -0.434 19331 1934 1 6 . 1 1 53 53 PHE N N 53 117.376 117.376 125.465 -8.089 19331 1935 1 6 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.782 0.096 19331 1936 1 6 . 1 1 53 53 PHE C C 53 174.977 174.977 175.677 -0.700 19331 1937 1 6 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.219 0.337 19331 1938 1 6 . 1 1 53 53 PHE CB C 53 43.874 43.874 41.596 2.278 19331 1939 1 6 . 1 1 53 53 PHE H H 53 8.802 8.802 8.125 0.677 19331 1940 1 6 . 1 1 54 54 THR N N 54 114.290 114.290 114.399 -0.109 19331 1941 1 6 . 1 1 54 54 THR HA H 54 4.553 4.553 4.228 0.325 19331 1942 1 6 . 1 1 54 54 THR C C 54 174.229 174.229 174.206 0.023 19331 1943 1 6 . 1 1 54 54 THR CA C 54 63.789 63.789 62.932 0.857 19331 1944 1 6 . 1 1 54 54 THR CB C 54 69.491 69.491 69.318 0.173 19331 1945 1 6 . 1 1 54 54 THR H H 54 9.129 9.129 8.633 0.496 19331 1946 1 6 . 1 1 55 55 GLN N N 55 117.684 117.684 118.363 -0.679 19331 1947 1 6 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.741 0.043 19331 1948 1 6 . 1 1 55 55 GLN C C 55 176.124 176.124 176.408 -0.284 19331 1949 1 6 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.692 -0.627 19331 1950 1 6 . 1 1 55 55 GLN CB C 55 31.444 31.444 31.874 -0.430 19331 1951 1 6 . 1 1 55 55 GLN H H 55 7.563 7.563 7.887 -0.324 19331 1952 1 6 . 1 1 56 56 LYS N N 56 127.497 127.497 124.260 3.237 19331 1953 1 6 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.599 -0.808 19331 1954 1 6 . 1 1 56 56 LYS C C 56 178.179 178.179 178.003 0.176 19331 1955 1 6 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.529 -0.232 19331 1956 1 6 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.879 -0.145 19331 1957 1 6 . 1 1 56 56 LYS H H 56 8.680 8.680 9.201 -0.521 19331 1958 1 6 . 1 1 57 57 GLY N N 57 105.111 105.111 106.951 -1.840 19331 1959 1 6 . 1 1 57 57 GLY C C 57 176.204 176.204 175.896 0.308 19331 1960 1 6 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.078 -0.008 19331 1961 1 6 . 1 1 57 57 GLY H H 57 8.900 8.900 8.884 0.016 19331 1962 1 6 . 1 1 58 58 ASN N N 58 117.732 117.732 119.885 -2.153 19331 1963 1 6 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.400 0.048 19331 1964 1 6 . 1 1 58 58 ASN C C 58 177.325 177.325 176.858 0.467 19331 1965 1 6 . 1 1 58 58 ASN CA C 58 54.912 54.912 54.550 0.362 19331 1966 1 6 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.801 -0.339 19331 1967 1 6 . 1 1 58 58 ASN H H 58 6.958 6.958 7.497 -0.539 19331 1968 1 6 . 1 1 59 59 LEU N N 59 123.027 123.027 123.153 -0.126 19331 1969 1 6 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.879 -0.753 19331 1970 1 6 . 1 1 59 59 LEU C C 59 177.352 177.352 177.888 -0.536 19331 1971 1 6 . 1 1 59 59 LEU CA C 59 57.659 57.659 58.038 -0.379 19331 1972 1 6 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.980 -2.071 19331 1973 1 6 . 1 1 59 59 LEU H H 59 6.885 6.885 7.208 -0.323 19331 1974 1 6 . 1 1 60 60 LEU N N 60 117.860 117.860 116.977 0.883 19331 1975 1 6 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.841 0.055 19331 1976 1 6 . 1 1 60 60 LEU C C 60 179.669 179.669 179.364 0.305 19331 1977 1 6 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.647 0.491 19331 1978 1 6 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.126 -0.494 19331 1979 1 6 . 1 1 60 60 LEU H H 60 8.078 8.078 8.193 -0.115 19331 1980 1 6 . 1 1 61 61 ARG N N 61 117.382 117.382 119.179 -1.797 19331 1981 1 6 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.901 0.027 19331 1982 1 6 . 1 1 61 61 ARG C C 61 177.752 177.752 178.031 -0.279 19331 1983 1 6 . 1 1 61 61 ARG CA C 61 59.258 59.258 59.234 0.024 19331 1984 1 6 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.961 0.385 19331 1985 1 6 . 1 1 61 61 ARG H H 61 7.414 7.414 7.432 -0.018 19331 1986 1 6 . 1 1 62 62 HIS N N 62 119.118 119.118 119.485 -0.367 19331 1987 1 6 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.168 -0.057 19331 1988 1 6 . 1 1 62 62 HIS C C 62 176.978 176.978 177.588 -0.610 19331 1989 1 6 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.700 -0.134 19331 1990 1 6 . 1 1 62 62 HIS CB C 62 28.558 28.558 29.896 -1.338 19331 1991 1 6 . 1 1 62 62 HIS H H 62 7.360 7.360 7.573 -0.213 19331 1992 1 6 . 1 1 63 63 ILE N N 63 116.662 116.662 114.555 2.107 19331 1993 1 6 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.109 -0.440 19331 1994 1 6 . 1 1 63 63 ILE C C 63 178.526 178.526 177.418 1.108 19331 1995 1 6 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.170 1.705 19331 1996 1 6 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.870 0.215 19331 1997 1 6 . 1 1 63 63 ILE H H 63 8.500 8.500 8.381 0.119 19331 1998 1 6 . 1 1 64 64 LYS N N 64 119.456 119.456 120.703 -1.247 19331 1999 1 6 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.052 0.016 19331 2000 1 6 . 1 1 64 64 LYS C C 64 178.553 178.553 178.599 -0.046 19331 2001 1 6 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.062 -0.395 19331 2002 1 6 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.629 -0.625 19331 2003 1 6 . 1 1 64 64 LYS H H 64 7.174 7.174 7.313 -0.139 19331 2004 1 6 . 1 1 65 65 LEU N N 65 118.539 118.539 118.517 0.022 19331 2005 1 6 . 1 1 65 65 LEU HA H 65 4.064 4.064 3.953 0.111 19331 2006 1 6 . 1 1 65 65 LEU C C 65 178.980 178.980 179.044 -0.064 19331 2007 1 6 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.075 -0.468 19331 2008 1 6 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.612 -0.635 19331 2009 1 6 . 1 1 65 65 LEU H H 65 7.744 7.744 7.888 -0.144 19331 2010 1 6 . 1 1 66 66 HIS N N 66 115.422 115.422 116.581 -1.159 19331 2011 1 6 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.337 0.396 19331 2012 1 6 . 1 1 66 66 HIS C C 66 175.671 175.671 175.060 0.611 19331 2013 1 6 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.203 -1.075 19331 2014 1 6 . 1 1 66 66 HIS CB C 66 28.573 28.573 29.794 -1.221 19331 2015 1 6 . 1 1 66 66 HIS H H 66 7.357 7.357 7.422 -0.065 19331 2016 1 6 . 1 1 67 67 SER N N 67 115.047 115.047 111.281 3.766 19331 2017 1 6 . 1 1 67 67 SER HA H 67 4.459 4.459 4.122 0.337 19331 2018 1 6 . 1 1 67 67 SER C C 67 175.003 175.003 174.952 0.051 19331 2019 1 6 . 1 1 67 67 SER CA C 67 59.246 59.246 58.945 0.301 19331 2020 1 6 . 1 1 67 67 SER CB C 67 63.693 63.693 63.416 0.278 19331 2021 1 6 . 1 1 67 67 SER H H 67 7.859 7.859 7.331 0.528 19331 2022 1 6 . 1 1 68 68 GLY N N 68 110.437 110.437 113.947 -3.510 19331 2023 1 6 . 1 1 68 68 GLY C C 68 173.812 173.812 174.889 -1.077 19331 2024 1 6 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.646 -0.339 19331 2025 1 6 . 1 1 68 68 GLY H H 68 8.281 8.281 8.796 -0.515 19331 2026 1 6 . 1 1 69 69 GLU N N 69 120.321 120.321 120.765 -0.444 19331 2027 1 6 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.167 0.113 19331 2028 1 6 . 1 1 69 69 GLU C C 69 176.124 176.124 177.010 -0.886 19331 2029 1 6 . 1 1 69 69 GLU CA C 69 56.393 56.393 58.078 -1.685 19331 2030 1 6 . 1 1 69 69 GLU CB C 69 30.396 30.396 29.701 0.695 19331 2031 1 6 . 1 1 69 69 GLU H H 69 8.069 8.069 8.692 -0.623 19331 2032 1 6 . 1 1 70 70 LYS N N 70 123.278 123.278 118.884 4.394 19331 2033 1 6 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.752 -0.158 19331 2034 1 6 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.113 0.952 19331 2035 1 6 . 1 1 70 70 LYS CB C 70 32.557 32.557 32.824 -0.267 19331 2036 1 6 . 1 1 70 70 LYS H H 70 8.349 8.349 7.853 0.496 19331 2037 1 6 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.422 -0.031 19331 2038 1 6 . 1 1 71 71 PRO C C 71 176.178 176.178 176.964 -0.786 19331 2039 1 6 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.969 0.174 19331 2040 1 6 . 1 1 71 71 PRO CB C 71 31.837 31.837 32.196 -0.359 19331 2041 1 6 . 1 1 72 72 PHE N N 72 120.324 120.324 119.270 1.054 19331 2042 1 6 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.039 0.567 19331 2043 1 6 . 1 1 72 72 PHE C C 72 174.546 174.546 175.162 -0.616 19331 2044 1 6 . 1 1 72 72 PHE CA C 72 57.543 57.543 58.140 -0.597 19331 2045 1 6 . 1 1 72 72 PHE CB C 72 39.501 39.501 38.349 1.152 19331 2046 1 6 . 1 1 72 72 PHE H H 72 8.177 8.177 8.428 -0.251 19331 2047 1 7 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.791 -0.531 19331 2048 1 7 . 1 1 12 12 PRO C C 12 175.377 175.377 175.678 -0.301 19331 2049 1 7 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.611 0.774 19331 2050 1 7 . 1 1 12 12 PRO CB C 12 32.069 32.069 31.277 0.792 19331 2051 1 7 . 1 1 13 13 ASN N N 13 123.885 123.885 121.598 2.287 19331 2052 1 7 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.893 -0.429 19331 2053 1 7 . 1 1 13 13 ASN C C 13 176.178 176.178 175.502 0.676 19331 2054 1 7 . 1 1 13 13 ASN CA C 13 54.834 54.834 53.316 1.518 19331 2055 1 7 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.724 1.281 19331 2056 1 7 . 1 1 13 13 ASN H H 13 8.001 8.001 8.572 -0.570 19331 2057 1 7 . 1 1 14 14 GLY N N 14 113.831 113.831 108.478 5.353 19331 2058 1 7 . 1 1 14 14 GLY C C 14 174.152 174.152 174.545 -0.393 19331 2059 1 7 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.072 0.294 19331 2060 1 7 . 1 1 14 14 GLY H H 14 8.367 8.367 8.258 0.108 19331 2061 1 7 . 1 1 15 15 LYS N N 15 119.903 119.903 120.346 -0.443 19331 2062 1 7 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.596 -0.299 19331 2063 1 7 . 1 1 15 15 LYS C C 15 176.217 176.217 176.422 -0.205 19331 2064 1 7 . 1 1 15 15 LYS CA C 15 56.921 56.921 56.065 0.856 19331 2065 1 7 . 1 1 15 15 LYS CB C 15 32.804 32.804 33.183 -0.379 19331 2066 1 7 . 1 1 15 15 LYS H H 15 8.200 8.200 7.972 0.228 19331 2067 1 7 . 1 1 16 16 LEU N N 16 122.670 122.670 123.952 -1.282 19331 2068 1 7 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.343 0.111 19331 2069 1 7 . 1 1 16 16 LEU C C 16 173.805 173.805 176.096 -2.291 19331 2070 1 7 . 1 1 16 16 LEU CA C 16 55.080 55.080 55.109 -0.029 19331 2071 1 7 . 1 1 16 16 LEU CB C 16 41.852 41.852 41.647 0.205 19331 2072 1 7 . 1 1 16 16 LEU H H 16 8.394 8.394 7.826 0.568 19331 2073 1 7 . 1 1 17 17 LYS N N 17 120.445 120.445 123.988 -3.543 19331 2074 1 7 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.734 0.143 19331 2075 1 7 . 1 1 17 17 LYS C C 17 175.777 175.777 175.104 0.673 19331 2076 1 7 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.575 -1.086 19331 2077 1 7 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.679 1.475 19331 2078 1 7 . 1 1 17 17 LYS H H 17 8.026 8.026 8.337 -0.311 19331 2079 1 7 . 1 1 18 18 CYS N N 18 127.176 127.176 119.726 7.450 19331 2080 1 7 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.725 -0.498 19331 2081 1 7 . 1 1 18 18 CYS C C 18 176.551 176.551 173.433 3.118 19331 2082 1 7 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.418 2.259 19331 2083 1 7 . 1 1 18 18 CYS CB C 18 29.821 29.821 29.507 0.314 19331 2084 1 7 . 1 1 18 18 CYS H H 18 9.071 9.071 8.349 0.722 19331 2085 1 7 . 1 1 19 19 ASP N N 19 130.419 130.419 121.893 8.526 19331 2086 1 7 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.902 -0.538 19331 2087 1 7 . 1 1 19 19 ASP C C 19 175.433 175.433 174.393 1.040 19331 2088 1 7 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.460 1.211 19331 2089 1 7 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.732 -2.119 19331 2090 1 7 . 1 1 19 19 ASP H H 19 9.137 9.137 8.465 0.672 19331 2091 1 7 . 1 1 20 20 VAL N N 20 123.067 123.067 122.861 0.206 19331 2092 1 7 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.293 -0.471 19331 2093 1 7 . 1 1 20 20 VAL C C 20 177.009 177.009 174.170 2.839 19331 2094 1 7 . 1 1 20 20 VAL CA C 20 65.362 65.362 62.280 3.082 19331 2095 1 7 . 1 1 20 20 VAL CB C 20 32.970 32.970 33.085 -0.115 19331 2096 1 7 . 1 1 20 20 VAL H H 20 9.022 9.022 8.484 0.538 19331 2097 1 7 . 1 1 21 21 CYS N N 21 115.484 115.484 124.854 -9.370 19331 2098 1 7 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.989 0.126 19331 2099 1 7 . 1 1 21 21 CYS C C 21 176.178 176.178 173.879 2.299 19331 2100 1 7 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.876 -0.809 19331 2101 1 7 . 1 1 21 21 CYS CB C 21 33.096 33.096 29.615 3.481 19331 2102 1 7 . 1 1 21 21 CYS H H 21 8.092 8.092 8.398 -0.306 19331 2103 1 7 . 1 1 22 22 GLY N N 22 113.222 113.222 112.903 0.319 19331 2104 1 7 . 1 1 22 22 GLY C C 22 173.028 173.028 172.311 0.717 19331 2105 1 7 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.643 1.098 19331 2106 1 7 . 1 1 22 22 GLY H H 22 7.931 7.931 8.750 -0.819 19331 2107 1 7 . 1 1 23 23 MET N N 23 122.930 122.930 122.082 0.848 19331 2108 1 7 . 1 1 23 23 MET HA H 23 4.075 4.075 4.674 -0.599 19331 2109 1 7 . 1 1 23 23 MET C C 23 174.950 174.950 174.259 0.691 19331 2110 1 7 . 1 1 23 23 MET CA C 23 57.226 57.226 54.940 2.287 19331 2111 1 7 . 1 1 23 23 MET CB C 23 33.750 33.750 33.792 -0.042 19331 2112 1 7 . 1 1 23 23 MET H H 23 8.276 8.276 8.086 0.190 19331 2113 1 7 . 1 1 24 24 VAL N N 24 126.800 126.800 122.536 4.264 19331 2114 1 7 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.476 -0.146 19331 2115 1 7 . 1 1 24 24 VAL C C 24 176.124 176.124 175.573 0.551 19331 2116 1 7 . 1 1 24 24 VAL CA C 24 62.581 62.581 61.345 1.236 19331 2117 1 7 . 1 1 24 24 VAL CB C 24 31.843 31.843 33.148 -1.305 19331 2118 1 7 . 1 1 24 24 VAL H H 24 8.466 8.466 8.396 0.070 19331 2119 1 7 . 1 1 25 25 CYS N N 25 125.377 125.377 121.641 3.736 19331 2120 1 7 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.714 0.015 19331 2121 1 7 . 1 1 25 25 CYS C C 25 173.829 173.829 174.168 -0.339 19331 2122 1 7 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.992 -1.482 19331 2123 1 7 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.412 3.237 19331 2124 1 7 . 1 1 25 25 CYS H H 25 8.720 8.720 8.360 0.360 19331 2125 1 7 . 1 1 26 26 ILE N N 26 119.435 119.435 124.069 -4.634 19331 2126 1 7 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.400 -0.230 19331 2127 1 7 . 1 1 26 26 ILE C C 26 175.334 175.334 174.682 0.652 19331 2128 1 7 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.549 0.397 19331 2129 1 7 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.709 -1.839 19331 2130 1 7 . 1 1 26 26 ILE H H 26 8.407 8.407 8.414 -0.007 19331 2131 1 7 . 1 1 27 27 GLY N N 27 109.455 109.455 115.345 -5.890 19331 2132 1 7 . 1 1 27 27 GLY CA C 27 44.598 44.598 45.034 -0.436 19331 2133 1 7 . 1 1 27 27 GLY H H 27 7.444 7.444 8.394 -0.950 19331 2134 1 7 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.576 -0.396 19331 2135 1 7 . 1 1 28 28 PRO C C 28 178.526 178.526 177.110 1.416 19331 2136 1 7 . 1 1 28 28 PRO CA C 28 65.014 65.014 61.968 3.046 19331 2137 1 7 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.972 -1.224 19331 2138 1 7 . 1 1 29 29 ASN N N 29 118.871 118.871 119.239 -0.368 19331 2139 1 7 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.517 0.057 19331 2140 1 7 . 1 1 29 29 ASN C C 29 176.925 176.925 177.145 -0.220 19331 2141 1 7 . 1 1 29 29 ASN CA C 29 56.454 56.454 54.602 1.852 19331 2142 1 7 . 1 1 29 29 ASN CB C 29 37.481 37.481 38.282 -0.801 19331 2143 1 7 . 1 1 29 29 ASN H H 29 8.722 8.722 8.679 0.043 19331 2144 1 7 . 1 1 30 30 VAL N N 30 120.904 120.904 120.865 0.039 19331 2145 1 7 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.729 -0.012 19331 2146 1 7 . 1 1 30 30 VAL C C 30 178.526 178.526 176.531 1.995 19331 2147 1 7 . 1 1 30 30 VAL CA C 30 65.881 65.881 65.161 0.720 19331 2148 1 7 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.718 0.122 19331 2149 1 7 . 1 1 30 30 VAL H H 30 7.475 7.475 8.096 -0.621 19331 2150 1 7 . 1 1 31 31 LEU N N 31 120.665 120.665 118.805 1.860 19331 2151 1 7 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.009 0.458 19331 2152 1 7 . 1 1 31 31 LEU C C 31 177.379 177.379 178.860 -1.481 19331 2153 1 7 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.353 0.749 19331 2154 1 7 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.624 -0.257 19331 2155 1 7 . 1 1 31 31 LEU H H 31 7.853 7.853 7.541 0.312 19331 2156 1 7 . 1 1 32 32 MET N N 32 117.671 117.671 119.597 -1.926 19331 2157 1 7 . 1 1 32 32 MET HA H 32 4.099 4.099 4.138 -0.039 19331 2158 1 7 . 1 1 32 32 MET C C 32 178.927 178.927 178.411 0.516 19331 2159 1 7 . 1 1 32 32 MET CA C 32 59.015 59.015 59.018 -0.003 19331 2160 1 7 . 1 1 32 32 MET CB C 32 32.105 32.105 32.733 -0.628 19331 2161 1 7 . 1 1 32 32 MET H H 32 7.974 7.974 7.560 0.414 19331 2162 1 7 . 1 1 33 33 VAL N N 33 119.384 119.384 118.100 1.284 19331 2163 1 7 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.693 -0.151 19331 2164 1 7 . 1 1 33 33 VAL C C 33 179.275 179.275 176.959 2.316 19331 2165 1 7 . 1 1 33 33 VAL CA C 33 66.653 66.653 65.147 1.506 19331 2166 1 7 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.811 0.005 19331 2167 1 7 . 1 1 33 33 VAL H H 33 7.747 7.747 8.126 -0.379 19331 2168 1 7 . 1 1 34 34 HIS N N 34 120.938 120.938 120.028 0.910 19331 2169 1 7 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.275 -0.055 19331 2170 1 7 . 1 1 34 34 HIS C C 34 178.486 178.486 177.370 1.116 19331 2171 1 7 . 1 1 34 34 HIS CA C 34 59.798 59.798 60.426 -0.628 19331 2172 1 7 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.952 -1.916 19331 2173 1 7 . 1 1 34 34 HIS H H 34 8.664 8.664 7.838 0.826 19331 2174 1 7 . 1 1 35 35 LYS N N 35 119.725 119.725 118.682 1.043 19331 2175 1 7 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.407 -0.691 19331 2176 1 7 . 1 1 35 35 LYS C C 35 178.526 178.526 178.554 -0.028 19331 2177 1 7 . 1 1 35 35 LYS CA C 35 60.666 60.666 58.450 2.216 19331 2178 1 7 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.505 -1.077 19331 2179 1 7 . 1 1 35 35 LYS H H 35 9.034 9.034 7.838 1.196 19331 2180 1 7 . 1 1 36 36 ARG N N 36 118.491 118.491 120.241 -1.750 19331 2181 1 7 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.215 -0.066 19331 2182 1 7 . 1 1 36 36 ARG C C 36 177.752 177.752 177.933 -0.181 19331 2183 1 7 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.578 -0.471 19331 2184 1 7 . 1 1 36 36 ARG CB C 36 29.714 29.714 30.477 -0.763 19331 2185 1 7 . 1 1 36 36 ARG H H 36 7.458 7.458 7.837 -0.379 19331 2186 1 7 . 1 1 37 37 SER N N 37 113.811 113.811 112.527 1.284 19331 2187 1 7 . 1 1 37 37 SER HA H 37 4.202 4.202 4.228 -0.026 19331 2188 1 7 . 1 1 37 37 SER C C 37 174.576 174.576 174.712 -0.136 19331 2189 1 7 . 1 1 37 37 SER CA C 37 60.412 60.412 60.263 0.149 19331 2190 1 7 . 1 1 37 37 SER CB C 37 62.129 62.129 63.968 -1.839 19331 2191 1 7 . 1 1 37 37 SER H H 37 7.771 7.771 7.949 -0.178 19331 2192 1 7 . 1 1 38 38 HIS N N 38 118.829 118.829 119.653 -0.824 19331 2193 1 7 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.775 0.219 19331 2194 1 7 . 1 1 38 38 HIS C C 38 174.977 174.977 173.437 1.540 19331 2195 1 7 . 1 1 38 38 HIS CA C 38 54.798 54.798 55.297 -0.499 19331 2196 1 7 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.601 -2.284 19331 2197 1 7 . 1 1 38 38 HIS H H 38 7.265 7.265 7.777 -0.512 19331 2198 1 7 . 1 1 39 39 THR N N 39 113.289 113.289 117.125 -3.836 19331 2199 1 7 . 1 1 39 39 THR HA H 39 4.353 4.353 4.652 -0.299 19331 2200 1 7 . 1 1 39 39 THR C C 39 174.977 174.977 173.589 1.388 19331 2201 1 7 . 1 1 39 39 THR CA C 39 62.252 62.252 60.717 1.535 19331 2202 1 7 . 1 1 39 39 THR CB C 39 69.773 69.773 70.003 -0.230 19331 2203 1 7 . 1 1 39 39 THR H H 39 7.814 7.814 8.200 -0.386 19331 2204 1 7 . 1 1 40 40 GLY N N 40 110.879 110.879 108.833 2.046 19331 2205 1 7 . 1 1 40 40 GLY C C 40 173.802 173.802 172.895 0.907 19331 2206 1 7 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.098 0.075 19331 2207 1 7 . 1 1 40 40 GLY H H 40 8.425 8.425 8.305 0.120 19331 2208 1 7 . 1 1 41 41 GLU N N 41 120.081 120.081 121.447 -1.366 19331 2209 1 7 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.289 -0.067 19331 2210 1 7 . 1 1 41 41 GLU C C 41 176.151 176.151 176.185 -0.034 19331 2211 1 7 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.423 0.287 19331 2212 1 7 . 1 1 41 41 GLU CB C 41 30.550 30.550 28.508 2.042 19331 2213 1 7 . 1 1 41 41 GLU H H 41 8.127 8.127 8.675 -0.548 19331 2214 1 7 . 1 1 42 42 ARG N N 42 121.379 121.379 123.204 -1.825 19331 2215 1 7 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.529 0.001 19331 2216 1 7 . 1 1 42 42 ARG CA C 42 53.378 53.378 54.802 -1.424 19331 2217 1 7 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.225 -0.200 19331 2218 1 7 . 1 1 42 42 ARG H H 42 8.370 8.370 7.835 0.535 19331 2219 1 7 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.275 -0.015 19331 2220 1 7 . 1 1 43 43 PRO C C 43 176.151 176.151 175.903 0.248 19331 2221 1 7 . 1 1 43 43 PRO CA C 43 63.652 63.652 63.731 -0.079 19331 2222 1 7 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.475 0.594 19331 2223 1 7 . 1 1 44 44 PHE N N 44 116.589 116.589 115.873 0.716 19331 2224 1 7 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.548 0.297 19331 2225 1 7 . 1 1 44 44 PHE C C 44 174.603 174.603 175.715 -1.112 19331 2226 1 7 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.691 -0.611 19331 2227 1 7 . 1 1 44 44 PHE CB C 44 39.654 39.654 38.151 1.503 19331 2228 1 7 . 1 1 44 44 PHE H H 44 7.659 7.659 7.879 -0.220 19331 2229 1 7 . 1 1 45 45 HIS N N 45 121.791 121.791 115.934 5.857 19331 2230 1 7 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.963 0.328 19331 2231 1 7 . 1 1 45 45 HIS C C 45 172.655 172.655 174.694 -2.039 19331 2232 1 7 . 1 1 45 45 HIS CA C 45 54.560 54.560 53.882 0.678 19331 2233 1 7 . 1 1 45 45 HIS CB C 45 31.774 31.774 30.411 1.363 19331 2234 1 7 . 1 1 45 45 HIS H H 45 9.070 9.070 7.521 1.549 19331 2235 1 7 . 1 1 46 46 CYS N N 46 125.392 125.392 122.358 3.034 19331 2236 1 7 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.460 0.082 19331 2237 1 7 . 1 1 46 46 CYS C C 46 176.525 176.525 174.580 1.945 19331 2238 1 7 . 1 1 46 46 CYS CA C 46 59.233 59.233 59.075 0.158 19331 2239 1 7 . 1 1 46 46 CYS CB C 46 29.948 29.948 26.183 3.765 19331 2240 1 7 . 1 1 46 46 CYS H H 46 9.189 9.189 8.598 0.591 19331 2241 1 7 . 1 1 47 47 ASN N N 47 128.827 128.827 127.732 1.095 19331 2242 1 7 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.676 0.021 19331 2243 1 7 . 1 1 47 47 ASN C C 47 175.433 175.433 174.447 0.986 19331 2244 1 7 . 1 1 47 47 ASN CA C 47 54.982 54.982 54.611 0.371 19331 2245 1 7 . 1 1 47 47 ASN CB C 47 38.237 38.237 37.643 0.594 19331 2246 1 7 . 1 1 47 47 ASN H H 47 9.302 9.302 8.757 0.545 19331 2247 1 7 . 1 1 48 48 GLN N N 48 120.952 120.952 123.576 -2.624 19331 2248 1 7 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.254 0.053 19331 2249 1 7 . 1 1 48 48 GLN C C 48 176.151 176.151 175.340 0.811 19331 2250 1 7 . 1 1 48 48 GLN CA C 48 57.832 57.832 56.859 0.973 19331 2251 1 7 . 1 1 48 48 GLN CB C 48 29.163 29.163 29.157 0.006 19331 2252 1 7 . 1 1 48 48 GLN H H 48 9.139 9.139 8.525 0.614 19331 2253 1 7 . 1 1 49 49 CYS N N 49 116.176 116.176 117.269 -1.093 19331 2254 1 7 . 1 1 49 49 CYS HA H 49 5.149 5.149 5.139 0.010 19331 2255 1 7 . 1 1 49 49 CYS C C 49 175.430 175.430 176.238 -0.808 19331 2256 1 7 . 1 1 49 49 CYS CA C 49 58.349 58.349 57.810 0.539 19331 2257 1 7 . 1 1 49 49 CYS CB C 49 32.264 32.264 30.418 1.846 19331 2258 1 7 . 1 1 49 49 CYS H H 49 8.117 8.117 7.931 0.186 19331 2259 1 7 . 1 1 50 50 GLY N N 50 111.724 111.724 111.072 0.652 19331 2260 1 7 . 1 1 50 50 GLY C C 50 173.758 173.758 174.182 -0.424 19331 2261 1 7 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.447 0.444 19331 2262 1 7 . 1 1 50 50 GLY H H 50 8.142 8.142 8.561 -0.419 19331 2263 1 7 . 1 1 51 51 ALA N N 51 126.041 126.041 124.150 1.891 19331 2264 1 7 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.221 -0.134 19331 2265 1 7 . 1 1 51 51 ALA C C 51 175.350 175.350 176.582 -1.232 19331 2266 1 7 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.367 2.138 19331 2267 1 7 . 1 1 51 51 ALA CB C 51 19.611 19.611 18.767 0.844 19331 2268 1 7 . 1 1 51 51 ALA H H 51 8.420 8.420 7.488 0.932 19331 2269 1 7 . 1 1 52 52 SER N N 52 113.511 113.511 119.203 -5.692 19331 2270 1 7 . 1 1 52 52 SER HA H 52 5.255 5.255 4.393 0.862 19331 2271 1 7 . 1 1 52 52 SER C C 52 173.002 173.002 173.423 -0.421 19331 2272 1 7 . 1 1 52 52 SER CA C 52 56.680 56.680 57.970 -1.290 19331 2273 1 7 . 1 1 52 52 SER CB C 52 65.958 65.958 63.576 2.382 19331 2274 1 7 . 1 1 52 52 SER H H 52 7.829 7.829 8.099 -0.270 19331 2275 1 7 . 1 1 53 53 PHE N N 53 117.376 117.376 124.084 -6.708 19331 2276 1 7 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.813 0.065 19331 2277 1 7 . 1 1 53 53 PHE C C 53 174.977 174.977 175.931 -0.954 19331 2278 1 7 . 1 1 53 53 PHE CA C 53 57.556 57.556 56.731 0.825 19331 2279 1 7 . 1 1 53 53 PHE CB C 53 43.874 43.874 41.938 1.936 19331 2280 1 7 . 1 1 53 53 PHE H H 53 8.802 8.802 8.023 0.779 19331 2281 1 7 . 1 1 54 54 THR N N 54 114.290 114.290 113.210 1.080 19331 2282 1 7 . 1 1 54 54 THR HA H 54 4.553 4.553 4.288 0.265 19331 2283 1 7 . 1 1 54 54 THR C C 54 174.229 174.229 173.329 0.900 19331 2284 1 7 . 1 1 54 54 THR CA C 54 63.789 63.789 61.581 2.208 19331 2285 1 7 . 1 1 54 54 THR CB C 54 69.491 69.491 69.195 0.296 19331 2286 1 7 . 1 1 54 54 THR H H 54 9.129 9.129 8.325 0.804 19331 2287 1 7 . 1 1 55 55 GLN N N 55 117.684 117.684 120.283 -2.599 19331 2288 1 7 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.394 0.390 19331 2289 1 7 . 1 1 55 55 GLN C C 55 176.124 176.124 176.210 -0.086 19331 2290 1 7 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.415 -0.350 19331 2291 1 7 . 1 1 55 55 GLN CB C 55 31.444 31.444 30.740 0.704 19331 2292 1 7 . 1 1 55 55 GLN H H 55 7.563 7.563 7.898 -0.335 19331 2293 1 7 . 1 1 56 56 LYS N N 56 127.497 127.497 124.581 2.916 19331 2294 1 7 . 1 1 56 56 LYS HA H 56 2.791 2.791 4.238 -1.447 19331 2295 1 7 . 1 1 56 56 LYS C C 56 178.179 178.179 177.861 0.318 19331 2296 1 7 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.197 0.100 19331 2297 1 7 . 1 1 56 56 LYS CB C 56 31.734 31.734 32.047 -0.313 19331 2298 1 7 . 1 1 56 56 LYS H H 56 8.680 8.680 8.772 -0.092 19331 2299 1 7 . 1 1 57 57 GLY N N 57 105.111 105.111 108.893 -3.782 19331 2300 1 7 . 1 1 57 57 GLY C C 57 176.204 176.204 175.712 0.492 19331 2301 1 7 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.277 -0.207 19331 2302 1 7 . 1 1 57 57 GLY H H 57 8.900 8.900 8.916 -0.016 19331 2303 1 7 . 1 1 58 58 ASN N N 58 117.732 117.732 119.749 -2.017 19331 2304 1 7 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.413 0.035 19331 2305 1 7 . 1 1 58 58 ASN C C 58 177.325 177.325 177.078 0.247 19331 2306 1 7 . 1 1 58 58 ASN CA C 58 54.912 54.912 54.893 0.019 19331 2307 1 7 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.579 -0.117 19331 2308 1 7 . 1 1 58 58 ASN H H 58 6.958 6.958 8.247 -1.289 19331 2309 1 7 . 1 1 59 59 LEU N N 59 123.027 123.027 122.562 0.465 19331 2310 1 7 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.863 -0.737 19331 2311 1 7 . 1 1 59 59 LEU C C 59 177.352 177.352 177.935 -0.583 19331 2312 1 7 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.809 -0.150 19331 2313 1 7 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.931 -2.021 19331 2314 1 7 . 1 1 59 59 LEU H H 59 6.885 6.885 7.592 -0.707 19331 2315 1 7 . 1 1 60 60 LEU N N 60 117.860 117.860 118.103 -0.243 19331 2316 1 7 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.907 -0.011 19331 2317 1 7 . 1 1 60 60 LEU C C 60 179.669 179.669 179.218 0.451 19331 2318 1 7 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.897 0.241 19331 2319 1 7 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.357 -0.725 19331 2320 1 7 . 1 1 60 60 LEU H H 60 8.078 8.078 8.165 -0.087 19331 2321 1 7 . 1 1 61 61 ARG N N 61 117.382 117.382 119.207 -1.825 19331 2322 1 7 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.861 0.067 19331 2323 1 7 . 1 1 61 61 ARG C C 61 177.752 177.752 178.264 -0.512 19331 2324 1 7 . 1 1 61 61 ARG CA C 61 59.258 59.258 59.619 -0.361 19331 2325 1 7 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.994 0.353 19331 2326 1 7 . 1 1 61 61 ARG H H 61 7.414 7.414 7.676 -0.262 19331 2327 1 7 . 1 1 62 62 HIS N N 62 119.118 119.118 118.761 0.357 19331 2328 1 7 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.361 -0.250 19331 2329 1 7 . 1 1 62 62 HIS C C 62 176.978 176.978 177.960 -0.982 19331 2330 1 7 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.780 -0.214 19331 2331 1 7 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.225 -1.667 19331 2332 1 7 . 1 1 62 62 HIS H H 62 7.360 7.360 7.636 -0.276 19331 2333 1 7 . 1 1 63 63 ILE N N 63 116.662 116.662 116.149 0.513 19331 2334 1 7 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.287 -0.618 19331 2335 1 7 . 1 1 63 63 ILE C C 63 178.526 178.526 177.335 1.191 19331 2336 1 7 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.550 1.325 19331 2337 1 7 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.876 0.209 19331 2338 1 7 . 1 1 63 63 ILE H H 63 8.500 8.500 8.531 -0.031 19331 2339 1 7 . 1 1 64 64 LYS N N 64 119.456 119.456 121.256 -1.800 19331 2340 1 7 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.060 0.008 19331 2341 1 7 . 1 1 64 64 LYS C C 64 178.553 178.553 179.066 -0.513 19331 2342 1 7 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.500 -0.833 19331 2343 1 7 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.334 -0.330 19331 2344 1 7 . 1 1 64 64 LYS H H 64 7.174 7.174 7.508 -0.334 19331 2345 1 7 . 1 1 65 65 LEU N N 65 118.539 118.539 118.464 0.075 19331 2346 1 7 . 1 1 65 65 LEU HA H 65 4.064 4.064 3.982 0.082 19331 2347 1 7 . 1 1 65 65 LEU C C 65 178.980 178.980 178.818 0.162 19331 2348 1 7 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.969 -1.362 19331 2349 1 7 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.453 -0.476 19331 2350 1 7 . 1 1 65 65 LEU H H 65 7.744 7.744 7.505 0.239 19331 2351 1 7 . 1 1 66 66 HIS N N 66 115.422 115.422 116.836 -1.414 19331 2352 1 7 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.423 0.310 19331 2353 1 7 . 1 1 66 66 HIS C C 66 175.671 175.671 176.548 -0.877 19331 2354 1 7 . 1 1 66 66 HIS CA C 66 56.128 56.128 58.599 -2.471 19331 2355 1 7 . 1 1 66 66 HIS CB C 66 28.573 28.573 29.881 -1.308 19331 2356 1 7 . 1 1 66 66 HIS H H 66 7.357 7.357 7.495 -0.138 19331 2357 1 7 . 1 1 67 67 SER N N 67 115.047 115.047 115.407 -0.360 19331 2358 1 7 . 1 1 67 67 SER HA H 67 4.459 4.459 4.431 0.028 19331 2359 1 7 . 1 1 67 67 SER C C 67 175.003 175.003 174.180 0.823 19331 2360 1 7 . 1 1 67 67 SER CA C 67 59.246 59.246 58.687 0.559 19331 2361 1 7 . 1 1 67 67 SER CB C 67 63.693 63.693 61.656 2.037 19331 2362 1 7 . 1 1 67 67 SER H H 67 7.859 7.859 7.815 0.044 19331 2363 1 7 . 1 1 68 68 GLY N N 68 110.437 110.437 112.486 -2.049 19331 2364 1 7 . 1 1 68 68 GLY C C 68 173.812 173.812 173.782 0.030 19331 2365 1 7 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.200 0.107 19331 2366 1 7 . 1 1 68 68 GLY H H 68 8.281 8.281 8.237 0.044 19331 2367 1 7 . 1 1 69 69 GLU N N 69 120.321 120.321 116.190 4.131 19331 2368 1 7 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.086 0.194 19331 2369 1 7 . 1 1 69 69 GLU C C 69 176.124 176.124 175.635 0.489 19331 2370 1 7 . 1 1 69 69 GLU CA C 69 56.393 56.393 56.741 -0.348 19331 2371 1 7 . 1 1 69 69 GLU CB C 69 30.396 30.396 28.938 1.458 19331 2372 1 7 . 1 1 69 69 GLU H H 69 8.069 8.069 8.031 0.038 19331 2373 1 7 . 1 1 70 70 LYS N N 70 123.278 123.278 125.835 -2.557 19331 2374 1 7 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.649 -0.055 19331 2375 1 7 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.075 0.990 19331 2376 1 7 . 1 1 70 70 LYS CB C 70 32.557 32.557 33.109 -0.552 19331 2377 1 7 . 1 1 70 70 LYS H H 70 8.349 8.349 8.164 0.185 19331 2378 1 7 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.708 -0.317 19331 2379 1 7 . 1 1 71 71 PRO C C 71 176.178 176.178 176.889 -0.711 19331 2380 1 7 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.592 0.551 19331 2381 1 7 . 1 1 71 71 PRO CB C 71 31.837 31.837 32.321 -0.484 19331 2382 1 7 . 1 1 72 72 PHE N N 72 120.324 120.324 117.250 3.074 19331 2383 1 7 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.462 0.144 19331 2384 1 7 . 1 1 72 72 PHE C C 72 174.546 174.546 175.448 -0.902 19331 2385 1 7 . 1 1 72 72 PHE CA C 72 57.543 57.543 58.556 -1.014 19331 2386 1 7 . 1 1 72 72 PHE CB C 72 39.501 39.501 38.607 0.894 19331 2387 1 7 . 1 1 72 72 PHE H H 72 8.177 8.177 8.342 -0.165 19331 2388 1 8 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.380 -0.120 19331 2389 1 8 . 1 1 12 12 PRO C C 12 175.377 175.377 175.783 -0.406 19331 2390 1 8 . 1 1 12 12 PRO CA C 12 63.385 63.385 63.139 0.246 19331 2391 1 8 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.051 0.018 19331 2392 1 8 . 1 1 13 13 ASN N N 13 123.885 123.885 120.906 2.979 19331 2393 1 8 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.916 -0.452 19331 2394 1 8 . 1 1 13 13 ASN C C 13 176.178 176.178 174.654 1.524 19331 2395 1 8 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.879 1.955 19331 2396 1 8 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.882 1.123 19331 2397 1 8 . 1 1 13 13 ASN H H 13 8.001 8.001 8.501 -0.500 19331 2398 1 8 . 1 1 14 14 GLY N N 14 113.831 113.831 110.043 3.788 19331 2399 1 8 . 1 1 14 14 GLY C C 14 174.152 174.152 174.034 0.118 19331 2400 1 8 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.395 -0.030 19331 2401 1 8 . 1 1 14 14 GLY H H 14 8.367 8.367 8.421 -0.054 19331 2402 1 8 . 1 1 15 15 LYS N N 15 119.903 119.903 124.964 -5.061 19331 2403 1 8 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.460 -0.163 19331 2404 1 8 . 1 1 15 15 LYS C C 15 176.217 176.217 175.795 0.422 19331 2405 1 8 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.598 1.323 19331 2406 1 8 . 1 1 15 15 LYS CB C 15 32.804 32.804 32.149 0.655 19331 2407 1 8 . 1 1 15 15 LYS H H 15 8.200 8.200 8.394 -0.194 19331 2408 1 8 . 1 1 16 16 LEU N N 16 122.670 122.670 123.612 -0.942 19331 2409 1 8 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.665 -0.211 19331 2410 1 8 . 1 1 16 16 LEU C C 16 173.805 173.805 176.394 -2.589 19331 2411 1 8 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.580 0.500 19331 2412 1 8 . 1 1 16 16 LEU CB C 16 41.852 41.852 41.233 0.619 19331 2413 1 8 . 1 1 16 16 LEU H H 16 8.394 8.394 8.023 0.371 19331 2414 1 8 . 1 1 17 17 LYS N N 17 120.445 120.445 125.492 -5.047 19331 2415 1 8 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.578 0.299 19331 2416 1 8 . 1 1 17 17 LYS C C 17 175.777 175.777 174.473 1.304 19331 2417 1 8 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.655 -1.166 19331 2418 1 8 . 1 1 17 17 LYS CB C 17 35.154 35.154 34.318 0.836 19331 2419 1 8 . 1 1 17 17 LYS H H 17 8.026 8.026 8.722 -0.696 19331 2420 1 8 . 1 1 18 18 CYS N N 18 127.176 127.176 118.633 8.543 19331 2421 1 8 . 1 1 18 18 CYS HA H 18 4.227 4.227 5.161 -0.934 19331 2422 1 8 . 1 1 18 18 CYS C C 18 176.551 176.551 172.972 3.579 19331 2423 1 8 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.835 1.842 19331 2424 1 8 . 1 1 18 18 CYS CB C 18 29.821 29.821 29.320 0.501 19331 2425 1 8 . 1 1 18 18 CYS H H 18 9.071 9.071 9.111 -0.040 19331 2426 1 8 . 1 1 19 19 ASP N N 19 130.419 130.419 123.278 7.141 19331 2427 1 8 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.814 -0.450 19331 2428 1 8 . 1 1 19 19 ASP C C 19 175.433 175.433 174.393 1.040 19331 2429 1 8 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.114 1.557 19331 2430 1 8 . 1 1 19 19 ASP CB C 19 39.613 39.613 42.328 -2.715 19331 2431 1 8 . 1 1 19 19 ASP H H 19 9.137 9.137 8.471 0.666 19331 2432 1 8 . 1 1 20 20 VAL N N 20 123.067 123.067 121.962 1.105 19331 2433 1 8 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.547 -0.725 19331 2434 1 8 . 1 1 20 20 VAL C C 20 177.009 177.009 174.758 2.251 19331 2435 1 8 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.284 4.078 19331 2436 1 8 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.878 0.092 19331 2437 1 8 . 1 1 20 20 VAL H H 20 9.022 9.022 8.487 0.535 19331 2438 1 8 . 1 1 21 21 CYS N N 21 115.484 115.484 124.002 -8.518 19331 2439 1 8 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.899 0.216 19331 2440 1 8 . 1 1 21 21 CYS C C 21 176.178 176.178 174.178 2.000 19331 2441 1 8 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.232 -0.165 19331 2442 1 8 . 1 1 21 21 CYS CB C 21 33.096 33.096 30.246 2.850 19331 2443 1 8 . 1 1 21 21 CYS H H 21 8.092 8.092 8.418 -0.326 19331 2444 1 8 . 1 1 22 22 GLY N N 22 113.222 113.222 110.645 2.577 19331 2445 1 8 . 1 1 22 22 GLY C C 22 173.028 173.028 174.201 -1.173 19331 2446 1 8 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.931 0.810 19331 2447 1 8 . 1 1 22 22 GLY H H 22 7.931 7.931 8.748 -0.817 19331 2448 1 8 . 1 1 23 23 MET N N 23 122.930 122.930 123.134 -0.204 19331 2449 1 8 . 1 1 23 23 MET HA H 23 4.075 4.075 4.619 -0.544 19331 2450 1 8 . 1 1 23 23 MET C C 23 174.950 174.950 175.515 -0.565 19331 2451 1 8 . 1 1 23 23 MET CA C 23 57.226 57.226 55.542 1.684 19331 2452 1 8 . 1 1 23 23 MET CB C 23 33.750 33.750 33.895 -0.145 19331 2453 1 8 . 1 1 23 23 MET H H 23 8.276 8.276 8.001 0.275 19331 2454 1 8 . 1 1 24 24 VAL N N 24 126.800 126.800 122.941 3.859 19331 2455 1 8 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.398 -0.068 19331 2456 1 8 . 1 1 24 24 VAL C C 24 176.124 176.124 174.765 1.359 19331 2457 1 8 . 1 1 24 24 VAL CA C 24 62.581 62.581 61.742 0.839 19331 2458 1 8 . 1 1 24 24 VAL CB C 24 31.843 31.843 33.239 -1.396 19331 2459 1 8 . 1 1 24 24 VAL H H 24 8.466 8.466 8.519 -0.053 19331 2460 1 8 . 1 1 25 25 CYS N N 25 125.377 125.377 127.162 -1.785 19331 2461 1 8 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.593 0.136 19331 2462 1 8 . 1 1 25 25 CYS C C 25 173.829 173.829 173.632 0.197 19331 2463 1 8 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.599 -1.089 19331 2464 1 8 . 1 1 25 25 CYS CB C 25 31.649 31.649 27.350 4.299 19331 2465 1 8 . 1 1 25 25 CYS H H 25 8.720 8.720 8.555 0.165 19331 2466 1 8 . 1 1 26 26 ILE N N 26 119.435 119.435 125.156 -5.721 19331 2467 1 8 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.407 -0.237 19331 2468 1 8 . 1 1 26 26 ILE C C 26 175.334 175.334 175.868 -0.534 19331 2469 1 8 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.283 0.663 19331 2470 1 8 . 1 1 26 26 ILE CB C 26 37.870 37.870 38.866 -0.996 19331 2471 1 8 . 1 1 26 26 ILE H H 26 8.407 8.407 8.263 0.144 19331 2472 1 8 . 1 1 27 27 GLY N N 27 109.455 109.455 115.143 -5.688 19331 2473 1 8 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.855 -0.257 19331 2474 1 8 . 1 1 27 27 GLY H H 27 7.444 7.444 8.453 -1.009 19331 2475 1 8 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.597 -0.417 19331 2476 1 8 . 1 1 28 28 PRO C C 28 178.526 178.526 177.452 1.074 19331 2477 1 8 . 1 1 28 28 PRO CA C 28 65.014 65.014 61.943 3.071 19331 2478 1 8 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.365 -0.617 19331 2479 1 8 . 1 1 29 29 ASN N N 29 118.871 118.871 119.189 -0.318 19331 2480 1 8 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.692 -0.118 19331 2481 1 8 . 1 1 29 29 ASN C C 29 176.925 176.925 175.796 1.129 19331 2482 1 8 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.734 3.720 19331 2483 1 8 . 1 1 29 29 ASN CB C 29 37.481 37.481 36.423 1.058 19331 2484 1 8 . 1 1 29 29 ASN H H 29 8.722 8.722 8.731 -0.009 19331 2485 1 8 . 1 1 30 30 VAL N N 30 120.904 120.904 117.435 3.469 19331 2486 1 8 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.740 -0.023 19331 2487 1 8 . 1 1 30 30 VAL C C 30 178.526 178.526 177.324 1.202 19331 2488 1 8 . 1 1 30 30 VAL CA C 30 65.881 65.881 65.146 0.735 19331 2489 1 8 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.366 0.475 19331 2490 1 8 . 1 1 30 30 VAL H H 30 7.475 7.475 7.462 0.013 19331 2491 1 8 . 1 1 31 31 LEU N N 31 120.665 120.665 120.702 -0.037 19331 2492 1 8 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.088 0.379 19331 2493 1 8 . 1 1 31 31 LEU C C 31 177.379 177.379 178.356 -0.977 19331 2494 1 8 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.941 0.161 19331 2495 1 8 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.815 -0.448 19331 2496 1 8 . 1 1 31 31 LEU H H 31 7.853 7.853 7.883 -0.030 19331 2497 1 8 . 1 1 32 32 MET N N 32 117.671 117.671 118.347 -0.676 19331 2498 1 8 . 1 1 32 32 MET HA H 32 4.099 4.099 4.145 -0.046 19331 2499 1 8 . 1 1 32 32 MET C C 32 178.927 178.927 178.383 0.544 19331 2500 1 8 . 1 1 32 32 MET CA C 32 59.015 59.015 58.843 0.172 19331 2501 1 8 . 1 1 32 32 MET CB C 32 32.105 32.105 32.391 -0.286 19331 2502 1 8 . 1 1 32 32 MET H H 32 7.974 7.974 7.615 0.359 19331 2503 1 8 . 1 1 33 33 VAL N N 33 119.384 119.384 118.453 0.931 19331 2504 1 8 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.670 -0.128 19331 2505 1 8 . 1 1 33 33 VAL C C 33 179.275 179.275 178.178 1.097 19331 2506 1 8 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.617 0.036 19331 2507 1 8 . 1 1 33 33 VAL CB C 33 31.815 31.815 30.677 1.138 19331 2508 1 8 . 1 1 33 33 VAL H H 33 7.747 7.747 7.793 -0.046 19331 2509 1 8 . 1 1 34 34 HIS N N 34 120.938 120.938 119.375 1.563 19331 2510 1 8 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.358 -0.138 19331 2511 1 8 . 1 1 34 34 HIS C C 34 178.486 178.486 177.560 0.926 19331 2512 1 8 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.788 0.010 19331 2513 1 8 . 1 1 34 34 HIS CB C 34 28.036 28.036 30.293 -2.257 19331 2514 1 8 . 1 1 34 34 HIS H H 34 8.664 8.664 8.061 0.603 19331 2515 1 8 . 1 1 35 35 LYS N N 35 119.725 119.725 120.567 -0.842 19331 2516 1 8 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.084 -0.368 19331 2517 1 8 . 1 1 35 35 LYS C C 35 178.526 178.526 178.922 -0.396 19331 2518 1 8 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.389 1.276 19331 2519 1 8 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.149 -0.721 19331 2520 1 8 . 1 1 35 35 LYS H H 35 9.034 9.034 8.205 0.829 19331 2521 1 8 . 1 1 36 36 ARG N N 36 118.491 118.491 119.194 -0.703 19331 2522 1 8 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.131 0.018 19331 2523 1 8 . 1 1 36 36 ARG C C 36 177.752 177.752 178.917 -1.165 19331 2524 1 8 . 1 1 36 36 ARG CA C 36 58.107 58.107 59.246 -1.139 19331 2525 1 8 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.904 -0.189 19331 2526 1 8 . 1 1 36 36 ARG H H 36 7.458 7.458 8.039 -0.581 19331 2527 1 8 . 1 1 37 37 SER N N 37 113.811 113.811 113.192 0.619 19331 2528 1 8 . 1 1 37 37 SER HA H 37 4.202 4.202 4.190 0.012 19331 2529 1 8 . 1 1 37 37 SER C C 37 174.576 174.576 175.331 -0.755 19331 2530 1 8 . 1 1 37 37 SER CA C 37 60.412 60.412 60.568 -0.156 19331 2531 1 8 . 1 1 37 37 SER CB C 37 62.129 62.129 63.002 -0.873 19331 2532 1 8 . 1 1 37 37 SER H H 37 7.771 7.771 7.857 -0.086 19331 2533 1 8 . 1 1 38 38 HIS N N 38 118.829 118.829 119.323 -0.494 19331 2534 1 8 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.386 0.608 19331 2535 1 8 . 1 1 38 38 HIS C C 38 174.977 174.977 175.827 -0.850 19331 2536 1 8 . 1 1 38 38 HIS CA C 38 54.798 54.798 57.849 -3.051 19331 2537 1 8 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.499 -2.182 19331 2538 1 8 . 1 1 38 38 HIS H H 38 7.265 7.265 7.549 -0.284 19331 2539 1 8 . 1 1 39 39 THR N N 39 113.289 113.289 114.659 -1.370 19331 2540 1 8 . 1 1 39 39 THR HA H 39 4.353 4.353 4.164 0.189 19331 2541 1 8 . 1 1 39 39 THR C C 39 174.977 174.977 175.784 -0.807 19331 2542 1 8 . 1 1 39 39 THR CA C 39 62.252 62.252 62.587 -0.335 19331 2543 1 8 . 1 1 39 39 THR CB C 39 69.773 69.773 67.882 1.891 19331 2544 1 8 . 1 1 39 39 THR H H 39 7.814 7.814 7.670 0.144 19331 2545 1 8 . 1 1 40 40 GLY N N 40 110.879 110.879 114.642 -3.763 19331 2546 1 8 . 1 1 40 40 GLY C C 40 173.802 173.802 173.335 0.467 19331 2547 1 8 . 1 1 40 40 GLY CA C 40 45.173 45.173 44.460 0.713 19331 2548 1 8 . 1 1 40 40 GLY H H 40 8.425 8.425 8.553 -0.128 19331 2549 1 8 . 1 1 41 41 GLU N N 41 120.081 120.081 122.985 -2.904 19331 2550 1 8 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.280 -0.058 19331 2551 1 8 . 1 1 41 41 GLU C C 41 176.151 176.151 176.073 0.078 19331 2552 1 8 . 1 1 41 41 GLU CA C 41 56.710 56.710 55.145 1.565 19331 2553 1 8 . 1 1 41 41 GLU CB C 41 30.550 30.550 29.922 0.628 19331 2554 1 8 . 1 1 41 41 GLU H H 41 8.127 8.127 7.665 0.462 19331 2555 1 8 . 1 1 42 42 ARG N N 42 121.379 121.379 128.084 -6.705 19331 2556 1 8 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.416 0.114 19331 2557 1 8 . 1 1 42 42 ARG CA C 42 53.378 53.378 54.400 -1.022 19331 2558 1 8 . 1 1 42 42 ARG CB C 42 30.025 30.025 29.582 0.443 19331 2559 1 8 . 1 1 42 42 ARG H H 42 8.370 8.370 8.128 0.242 19331 2560 1 8 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.113 0.147 19331 2561 1 8 . 1 1 43 43 PRO C C 43 176.151 176.151 176.207 -0.056 19331 2562 1 8 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.837 0.815 19331 2563 1 8 . 1 1 43 43 PRO CB C 43 32.069 32.069 32.217 -0.148 19331 2564 1 8 . 1 1 44 44 PHE N N 44 116.589 116.589 121.904 -5.315 19331 2565 1 8 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.285 0.560 19331 2566 1 8 . 1 1 44 44 PHE C C 44 174.603 174.603 175.000 -0.397 19331 2567 1 8 . 1 1 44 44 PHE CA C 44 57.080 57.080 58.715 -1.635 19331 2568 1 8 . 1 1 44 44 PHE CB C 44 39.654 39.654 37.823 1.831 19331 2569 1 8 . 1 1 44 44 PHE H H 44 7.659 7.659 8.575 -0.916 19331 2570 1 8 . 1 1 45 45 HIS N N 45 121.791 121.791 118.644 3.147 19331 2571 1 8 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.020 0.271 19331 2572 1 8 . 1 1 45 45 HIS C C 45 172.655 172.655 173.702 -1.047 19331 2573 1 8 . 1 1 45 45 HIS CA C 45 54.560 54.560 54.045 0.515 19331 2574 1 8 . 1 1 45 45 HIS CB C 45 31.774 31.774 32.058 -0.284 19331 2575 1 8 . 1 1 45 45 HIS H H 45 9.070 9.070 7.683 1.387 19331 2576 1 8 . 1 1 46 46 CYS N N 46 125.392 125.392 124.855 0.537 19331 2577 1 8 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.650 -0.108 19331 2578 1 8 . 1 1 46 46 CYS C C 46 176.525 176.525 175.712 0.813 19331 2579 1 8 . 1 1 46 46 CYS CA C 46 59.233 59.233 57.111 2.122 19331 2580 1 8 . 1 1 46 46 CYS CB C 46 29.948 29.948 25.881 4.067 19331 2581 1 8 . 1 1 46 46 CYS H H 46 9.189 9.189 8.710 0.479 19331 2582 1 8 . 1 1 47 47 ASN N N 47 128.827 128.827 125.515 3.312 19331 2583 1 8 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.479 0.218 19331 2584 1 8 . 1 1 47 47 ASN C C 47 175.433 175.433 176.333 -0.900 19331 2585 1 8 . 1 1 47 47 ASN CA C 47 54.982 54.982 55.641 -0.659 19331 2586 1 8 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.179 0.058 19331 2587 1 8 . 1 1 47 47 ASN H H 47 9.302 9.302 8.561 0.741 19331 2588 1 8 . 1 1 48 48 GLN N N 48 120.952 120.952 118.353 2.599 19331 2589 1 8 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.325 -0.018 19331 2590 1 8 . 1 1 48 48 GLN C C 48 176.151 176.151 176.343 -0.192 19331 2591 1 8 . 1 1 48 48 GLN CA C 48 57.832 57.832 57.808 0.024 19331 2592 1 8 . 1 1 48 48 GLN CB C 48 29.163 29.163 28.741 0.422 19331 2593 1 8 . 1 1 48 48 GLN H H 48 9.139 9.139 8.478 0.661 19331 2594 1 8 . 1 1 49 49 CYS N N 49 116.176 116.176 115.318 0.858 19331 2595 1 8 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.890 0.259 19331 2596 1 8 . 1 1 49 49 CYS C C 49 175.430 175.430 175.935 -0.505 19331 2597 1 8 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.359 -1.010 19331 2598 1 8 . 1 1 49 49 CYS CB C 49 32.264 32.264 29.948 2.316 19331 2599 1 8 . 1 1 49 49 CYS H H 49 8.117 8.117 7.789 0.328 19331 2600 1 8 . 1 1 50 50 GLY N N 50 111.724 111.724 107.955 3.769 19331 2601 1 8 . 1 1 50 50 GLY C C 50 173.758 173.758 173.778 -0.020 19331 2602 1 8 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.209 0.682 19331 2603 1 8 . 1 1 50 50 GLY H H 50 8.142 8.142 8.068 0.074 19331 2604 1 8 . 1 1 51 51 ALA N N 51 126.041 126.041 123.893 2.148 19331 2605 1 8 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.180 -0.093 19331 2606 1 8 . 1 1 51 51 ALA C C 51 175.350 175.350 175.804 -0.454 19331 2607 1 8 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.078 2.427 19331 2608 1 8 . 1 1 51 51 ALA CB C 51 19.611 19.611 18.512 1.099 19331 2609 1 8 . 1 1 51 51 ALA H H 51 8.420 8.420 7.544 0.876 19331 2610 1 8 . 1 1 52 52 SER N N 52 113.511 113.511 117.456 -3.945 19331 2611 1 8 . 1 1 52 52 SER HA H 52 5.255 5.255 4.337 0.918 19331 2612 1 8 . 1 1 52 52 SER C C 52 173.002 173.002 173.540 -0.538 19331 2613 1 8 . 1 1 52 52 SER CA C 52 56.680 56.680 57.861 -1.181 19331 2614 1 8 . 1 1 52 52 SER CB C 52 65.958 65.958 63.586 2.372 19331 2615 1 8 . 1 1 52 52 SER H H 52 7.829 7.829 8.070 -0.241 19331 2616 1 8 . 1 1 53 53 PHE N N 53 117.376 117.376 126.550 -9.174 19331 2617 1 8 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.874 0.004 19331 2618 1 8 . 1 1 53 53 PHE C C 53 174.977 174.977 175.626 -0.649 19331 2619 1 8 . 1 1 53 53 PHE CA C 53 57.556 57.556 56.867 0.688 19331 2620 1 8 . 1 1 53 53 PHE CB C 53 43.874 43.874 40.820 3.054 19331 2621 1 8 . 1 1 53 53 PHE H H 53 8.802 8.802 8.479 0.323 19331 2622 1 8 . 1 1 54 54 THR N N 54 114.290 114.290 111.639 2.651 19331 2623 1 8 . 1 1 54 54 THR HA H 54 4.553 4.553 4.484 0.069 19331 2624 1 8 . 1 1 54 54 THR C C 54 174.229 174.229 174.178 0.051 19331 2625 1 8 . 1 1 54 54 THR CA C 54 63.789 63.789 62.494 1.295 19331 2626 1 8 . 1 1 54 54 THR CB C 54 69.491 69.491 69.818 -0.327 19331 2627 1 8 . 1 1 54 54 THR H H 54 9.129 9.129 8.320 0.809 19331 2628 1 8 . 1 1 55 55 GLN N N 55 117.684 117.684 121.501 -3.817 19331 2629 1 8 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.581 0.203 19331 2630 1 8 . 1 1 55 55 GLN C C 55 176.124 176.124 176.485 -0.361 19331 2631 1 8 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.872 -0.807 19331 2632 1 8 . 1 1 55 55 GLN CB C 55 31.444 31.444 29.758 1.686 19331 2633 1 8 . 1 1 55 55 GLN H H 55 7.563 7.563 8.333 -0.770 19331 2634 1 8 . 1 1 56 56 LYS N N 56 127.497 127.497 123.744 3.753 19331 2635 1 8 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.306 -0.515 19331 2636 1 8 . 1 1 56 56 LYS C C 56 178.179 178.179 177.565 0.614 19331 2637 1 8 . 1 1 56 56 LYS CA C 56 59.297 59.297 58.707 0.590 19331 2638 1 8 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.074 0.660 19331 2639 1 8 . 1 1 56 56 LYS H H 56 8.680 8.680 8.357 0.323 19331 2640 1 8 . 1 1 57 57 GLY N N 57 105.111 105.111 106.880 -1.769 19331 2641 1 8 . 1 1 57 57 GLY C C 57 176.204 176.204 175.965 0.239 19331 2642 1 8 . 1 1 57 57 GLY CA C 57 47.070 47.070 46.665 0.405 19331 2643 1 8 . 1 1 57 57 GLY H H 57 8.900 8.900 8.708 0.192 19331 2644 1 8 . 1 1 58 58 ASN N N 58 117.732 117.732 120.158 -2.426 19331 2645 1 8 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.351 0.097 19331 2646 1 8 . 1 1 58 58 ASN C C 58 177.325 177.325 176.716 0.609 19331 2647 1 8 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.819 -0.907 19331 2648 1 8 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.997 -0.535 19331 2649 1 8 . 1 1 58 58 ASN H H 58 6.958 6.958 7.335 -0.377 19331 2650 1 8 . 1 1 59 59 LEU N N 59 123.027 123.027 121.750 1.277 19331 2651 1 8 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.640 -0.514 19331 2652 1 8 . 1 1 59 59 LEU C C 59 177.352 177.352 177.765 -0.413 19331 2653 1 8 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.345 0.314 19331 2654 1 8 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.881 -1.971 19331 2655 1 8 . 1 1 59 59 LEU H H 59 6.885 6.885 7.125 -0.240 19331 2656 1 8 . 1 1 60 60 LEU N N 60 117.860 117.860 118.184 -0.324 19331 2657 1 8 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.814 0.082 19331 2658 1 8 . 1 1 60 60 LEU C C 60 179.669 179.669 178.810 0.859 19331 2659 1 8 . 1 1 60 60 LEU CA C 60 58.138 58.138 58.204 -0.066 19331 2660 1 8 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.367 -0.735 19331 2661 1 8 . 1 1 60 60 LEU H H 60 8.078 8.078 8.546 -0.468 19331 2662 1 8 . 1 1 61 61 ARG N N 61 117.382 117.382 117.443 -0.061 19331 2663 1 8 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.923 0.005 19331 2664 1 8 . 1 1 61 61 ARG C C 61 177.752 177.752 178.450 -0.698 19331 2665 1 8 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.819 0.439 19331 2666 1 8 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.569 0.777 19331 2667 1 8 . 1 1 61 61 ARG H H 61 7.414 7.414 7.438 -0.024 19331 2668 1 8 . 1 1 62 62 HIS N N 62 119.118 119.118 120.031 -0.913 19331 2669 1 8 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.427 -0.316 19331 2670 1 8 . 1 1 62 62 HIS C C 62 176.978 176.978 178.053 -1.075 19331 2671 1 8 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.441 0.125 19331 2672 1 8 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.372 -1.814 19331 2673 1 8 . 1 1 62 62 HIS H H 62 7.360 7.360 7.398 -0.038 19331 2674 1 8 . 1 1 63 63 ILE N N 63 116.662 116.662 116.289 0.373 19331 2675 1 8 . 1 1 63 63 ILE HA H 63 3.669 3.669 3.972 -0.303 19331 2676 1 8 . 1 1 63 63 ILE C C 63 178.526 178.526 177.366 1.160 19331 2677 1 8 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.106 1.769 19331 2678 1 8 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.593 0.492 19331 2679 1 8 . 1 1 63 63 ILE H H 63 8.500 8.500 8.333 0.167 19331 2680 1 8 . 1 1 64 64 LYS N N 64 119.456 119.456 121.079 -1.623 19331 2681 1 8 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.066 0.002 19331 2682 1 8 . 1 1 64 64 LYS C C 64 178.553 178.553 179.492 -0.939 19331 2683 1 8 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.379 -0.712 19331 2684 1 8 . 1 1 64 64 LYS CB C 64 32.004 32.004 31.931 0.073 19331 2685 1 8 . 1 1 64 64 LYS H H 64 7.174 7.174 7.788 -0.614 19331 2686 1 8 . 1 1 65 65 LEU N N 65 118.539 118.539 118.372 0.167 19331 2687 1 8 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.118 -0.054 19331 2688 1 8 . 1 1 65 65 LEU C C 65 178.980 178.980 179.135 -0.155 19331 2689 1 8 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.269 -0.662 19331 2690 1 8 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.655 -0.678 19331 2691 1 8 . 1 1 65 65 LEU H H 65 7.744 7.744 7.625 0.119 19331 2692 1 8 . 1 1 66 66 HIS N N 66 115.422 115.422 116.623 -1.201 19331 2693 1 8 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.442 0.291 19331 2694 1 8 . 1 1 66 66 HIS C C 66 175.671 175.671 175.978 -0.307 19331 2695 1 8 . 1 1 66 66 HIS CA C 66 56.128 56.128 58.034 -1.906 19331 2696 1 8 . 1 1 66 66 HIS CB C 66 28.573 28.573 29.891 -1.318 19331 2697 1 8 . 1 1 66 66 HIS H H 66 7.357 7.357 7.839 -0.482 19331 2698 1 8 . 1 1 67 67 SER N N 67 115.047 115.047 113.311 1.736 19331 2699 1 8 . 1 1 67 67 SER HA H 67 4.459 4.459 4.493 -0.034 19331 2700 1 8 . 1 1 67 67 SER C C 67 175.003 175.003 174.005 0.998 19331 2701 1 8 . 1 1 67 67 SER CA C 67 59.246 59.246 58.524 0.722 19331 2702 1 8 . 1 1 67 67 SER CB C 67 63.693 63.693 63.605 0.088 19331 2703 1 8 . 1 1 67 67 SER H H 67 7.859 7.859 7.748 0.111 19331 2704 1 8 . 1 1 68 68 GLY N N 68 110.437 110.437 109.986 0.451 19331 2705 1 8 . 1 1 68 68 GLY C C 68 173.812 173.812 173.116 0.696 19331 2706 1 8 . 1 1 68 68 GLY CA C 68 45.307 45.307 44.901 0.406 19331 2707 1 8 . 1 1 68 68 GLY H H 68 8.281 8.281 7.433 0.848 19331 2708 1 8 . 1 1 69 69 GLU N N 69 120.321 120.321 123.607 -3.286 19331 2709 1 8 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.377 -0.097 19331 2710 1 8 . 1 1 69 69 GLU C C 69 176.124 176.124 176.258 -0.134 19331 2711 1 8 . 1 1 69 69 GLU CA C 69 56.393 56.393 56.411 -0.018 19331 2712 1 8 . 1 1 69 69 GLU CB C 69 30.396 30.396 27.932 2.464 19331 2713 1 8 . 1 1 69 69 GLU H H 69 8.069 8.069 8.540 -0.471 19331 2714 1 8 . 1 1 70 70 LYS N N 70 123.278 123.278 124.706 -1.428 19331 2715 1 8 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.642 -0.048 19331 2716 1 8 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.580 0.485 19331 2717 1 8 . 1 1 70 70 LYS CB C 70 32.557 32.557 32.943 -0.386 19331 2718 1 8 . 1 1 70 70 LYS H H 70 8.349 8.349 7.998 0.351 19331 2719 1 8 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.326 0.065 19331 2720 1 8 . 1 1 71 71 PRO C C 71 176.178 176.178 176.461 -0.283 19331 2721 1 8 . 1 1 71 71 PRO CA C 71 63.143 63.143 63.059 0.084 19331 2722 1 8 . 1 1 71 71 PRO CB C 71 31.837 31.837 31.660 0.177 19331 2723 1 8 . 1 1 72 72 PHE N N 72 120.324 120.324 125.434 -5.110 19331 2724 1 8 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.334 0.272 19331 2725 1 8 . 1 1 72 72 PHE C C 72 174.546 174.546 176.103 -1.557 19331 2726 1 8 . 1 1 72 72 PHE CA C 72 57.543 57.543 59.614 -2.071 19331 2727 1 8 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.573 -0.072 19331 2728 1 8 . 1 1 72 72 PHE H H 72 8.177 8.177 8.386 -0.209 19331 2729 1 9 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.419 -0.159 19331 2730 1 9 . 1 1 12 12 PRO C C 12 175.377 175.377 175.768 -0.391 19331 2731 1 9 . 1 1 12 12 PRO CA C 12 63.385 63.385 63.115 0.270 19331 2732 1 9 . 1 1 12 12 PRO CB C 12 32.069 32.069 30.026 2.043 19331 2733 1 9 . 1 1 13 13 ASN N N 13 123.885 123.885 122.322 1.563 19331 2734 1 9 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.901 -0.437 19331 2735 1 9 . 1 1 13 13 ASN C C 13 176.178 176.178 175.043 1.135 19331 2736 1 9 . 1 1 13 13 ASN CA C 13 54.834 54.834 53.442 1.392 19331 2737 1 9 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.829 1.176 19331 2738 1 9 . 1 1 13 13 ASN H H 13 8.001 8.001 8.385 -0.384 19331 2739 1 9 . 1 1 14 14 GLY N N 14 113.831 113.831 110.937 2.894 19331 2740 1 9 . 1 1 14 14 GLY C C 14 174.152 174.152 174.906 -0.754 19331 2741 1 9 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.547 -0.182 19331 2742 1 9 . 1 1 14 14 GLY H H 14 8.367 8.367 8.445 -0.078 19331 2743 1 9 . 1 1 15 15 LYS N N 15 119.903 119.903 120.943 -1.040 19331 2744 1 9 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.451 -0.154 19331 2745 1 9 . 1 1 15 15 LYS C C 15 176.217 176.217 177.109 -0.892 19331 2746 1 9 . 1 1 15 15 LYS CA C 15 56.921 56.921 56.010 0.911 19331 2747 1 9 . 1 1 15 15 LYS CB C 15 32.804 32.804 32.534 0.270 19331 2748 1 9 . 1 1 15 15 LYS H H 15 8.200 8.200 8.107 0.093 19331 2749 1 9 . 1 1 16 16 LEU N N 16 122.670 122.670 120.655 2.015 19331 2750 1 9 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.314 0.140 19331 2751 1 9 . 1 1 16 16 LEU C C 16 173.805 173.805 176.109 -2.304 19331 2752 1 9 . 1 1 16 16 LEU CA C 16 55.080 55.080 55.426 -0.346 19331 2753 1 9 . 1 1 16 16 LEU CB C 16 41.852 41.852 41.974 -0.122 19331 2754 1 9 . 1 1 16 16 LEU H H 16 8.394 8.394 7.584 0.810 19331 2755 1 9 . 1 1 17 17 LYS N N 17 120.445 120.445 126.172 -5.727 19331 2756 1 9 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.653 0.224 19331 2757 1 9 . 1 1 17 17 LYS C C 17 175.777 175.777 175.110 0.667 19331 2758 1 9 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.310 -0.822 19331 2759 1 9 . 1 1 17 17 LYS CB C 17 35.154 35.154 34.336 0.818 19331 2760 1 9 . 1 1 17 17 LYS H H 17 8.026 8.026 8.389 -0.363 19331 2761 1 9 . 1 1 18 18 CYS N N 18 127.176 127.176 122.664 4.512 19331 2762 1 9 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.709 -0.482 19331 2763 1 9 . 1 1 18 18 CYS C C 18 176.551 176.551 173.438 3.113 19331 2764 1 9 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.178 2.499 19331 2765 1 9 . 1 1 18 18 CYS CB C 18 29.821 29.821 27.356 2.465 19331 2766 1 9 . 1 1 18 18 CYS H H 18 9.071 9.071 8.683 0.388 19331 2767 1 9 . 1 1 19 19 ASP N N 19 130.419 130.419 125.454 4.965 19331 2768 1 9 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.794 -0.430 19331 2769 1 9 . 1 1 19 19 ASP C C 19 175.433 175.433 174.345 1.088 19331 2770 1 9 . 1 1 19 19 ASP CA C 19 55.671 55.671 53.753 1.918 19331 2771 1 9 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.844 -2.231 19331 2772 1 9 . 1 1 19 19 ASP H H 19 9.137 9.137 8.441 0.696 19331 2773 1 9 . 1 1 20 20 VAL N N 20 123.067 123.067 119.664 3.403 19331 2774 1 9 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.453 -0.631 19331 2775 1 9 . 1 1 20 20 VAL C C 20 177.009 177.009 174.312 2.697 19331 2776 1 9 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.847 3.514 19331 2777 1 9 . 1 1 20 20 VAL CB C 20 32.970 32.970 33.699 -0.729 19331 2778 1 9 . 1 1 20 20 VAL H H 20 9.022 9.022 8.307 0.715 19331 2779 1 9 . 1 1 21 21 CYS N N 21 115.484 115.484 124.788 -9.304 19331 2780 1 9 . 1 1 21 21 CYS HA H 21 5.115 5.115 5.276 -0.161 19331 2781 1 9 . 1 1 21 21 CYS C C 21 176.178 176.178 174.171 2.007 19331 2782 1 9 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.145 -0.078 19331 2783 1 9 . 1 1 21 21 CYS CB C 21 33.096 33.096 29.503 3.594 19331 2784 1 9 . 1 1 21 21 CYS H H 21 8.092 8.092 8.837 -0.745 19331 2785 1 9 . 1 1 22 22 GLY N N 22 113.222 113.222 113.970 -0.748 19331 2786 1 9 . 1 1 22 22 GLY C C 22 173.028 173.028 173.047 -0.019 19331 2787 1 9 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.829 0.912 19331 2788 1 9 . 1 1 22 22 GLY H H 22 7.931 7.931 8.672 -0.741 19331 2789 1 9 . 1 1 23 23 MET N N 23 122.930 122.930 123.523 -0.593 19331 2790 1 9 . 1 1 23 23 MET HA H 23 4.075 4.075 4.788 -0.713 19331 2791 1 9 . 1 1 23 23 MET C C 23 174.950 174.950 175.171 -0.221 19331 2792 1 9 . 1 1 23 23 MET CA C 23 57.226 57.226 55.111 2.115 19331 2793 1 9 . 1 1 23 23 MET CB C 23 33.750 33.750 35.909 -2.159 19331 2794 1 9 . 1 1 23 23 MET H H 23 8.276 8.276 8.148 0.128 19331 2795 1 9 . 1 1 24 24 VAL N N 24 126.800 126.800 124.272 2.528 19331 2796 1 9 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.480 -0.150 19331 2797 1 9 . 1 1 24 24 VAL C C 24 176.124 176.124 174.799 1.325 19331 2798 1 9 . 1 1 24 24 VAL CA C 24 62.581 62.581 61.668 0.913 19331 2799 1 9 . 1 1 24 24 VAL CB C 24 31.843 31.843 33.135 -1.292 19331 2800 1 9 . 1 1 24 24 VAL H H 24 8.466 8.466 8.514 -0.048 19331 2801 1 9 . 1 1 25 25 CYS N N 25 125.377 125.377 125.834 -0.457 19331 2802 1 9 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.885 -0.156 19331 2803 1 9 . 1 1 25 25 CYS C C 25 173.829 173.829 173.566 0.263 19331 2804 1 9 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.337 -0.827 19331 2805 1 9 . 1 1 25 25 CYS CB C 25 31.649 31.649 27.668 3.981 19331 2806 1 9 . 1 1 25 25 CYS H H 25 8.720 8.720 8.512 0.208 19331 2807 1 9 . 1 1 26 26 ILE N N 26 119.435 119.435 125.203 -5.768 19331 2808 1 9 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.264 -0.094 19331 2809 1 9 . 1 1 26 26 ILE C C 26 175.334 175.334 175.898 -0.564 19331 2810 1 9 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.298 0.648 19331 2811 1 9 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.849 -1.979 19331 2812 1 9 . 1 1 26 26 ILE H H 26 8.407 8.407 8.406 0.001 19331 2813 1 9 . 1 1 27 27 GLY N N 27 109.455 109.455 115.001 -5.546 19331 2814 1 9 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.596 0.002 19331 2815 1 9 . 1 1 27 27 GLY H H 27 7.444 7.444 8.616 -1.172 19331 2816 1 9 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.387 -0.207 19331 2817 1 9 . 1 1 28 28 PRO C C 28 178.526 178.526 176.968 1.558 19331 2818 1 9 . 1 1 28 28 PRO CA C 28 65.014 65.014 63.720 1.294 19331 2819 1 9 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.097 -0.349 19331 2820 1 9 . 1 1 29 29 ASN N N 29 118.871 118.871 114.889 3.982 19331 2821 1 9 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.883 -0.309 19331 2822 1 9 . 1 1 29 29 ASN C C 29 176.925 176.925 176.147 0.778 19331 2823 1 9 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.854 3.600 19331 2824 1 9 . 1 1 29 29 ASN CB C 29 37.481 37.481 38.816 -1.335 19331 2825 1 9 . 1 1 29 29 ASN H H 29 8.722 8.722 8.359 0.363 19331 2826 1 9 . 1 1 30 30 VAL N N 30 120.904 120.904 119.096 1.808 19331 2827 1 9 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.800 -0.083 19331 2828 1 9 . 1 1 30 30 VAL C C 30 178.526 178.526 177.073 1.453 19331 2829 1 9 . 1 1 30 30 VAL CA C 30 65.881 65.881 65.567 0.313 19331 2830 1 9 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.455 0.385 19331 2831 1 9 . 1 1 30 30 VAL H H 30 7.475 7.475 8.017 -0.542 19331 2832 1 9 . 1 1 31 31 LEU N N 31 120.665 120.665 120.015 0.650 19331 2833 1 9 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.255 0.212 19331 2834 1 9 . 1 1 31 31 LEU C C 31 177.379 177.379 178.597 -1.218 19331 2835 1 9 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.398 0.704 19331 2836 1 9 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.798 -0.431 19331 2837 1 9 . 1 1 31 31 LEU H H 31 7.853 7.853 7.765 0.088 19331 2838 1 9 . 1 1 32 32 MET N N 32 117.671 117.671 119.000 -1.329 19331 2839 1 9 . 1 1 32 32 MET HA H 32 4.099 4.099 4.240 -0.141 19331 2840 1 9 . 1 1 32 32 MET C C 32 178.927 178.927 178.017 0.910 19331 2841 1 9 . 1 1 32 32 MET CA C 32 59.015 59.015 57.769 1.246 19331 2842 1 9 . 1 1 32 32 MET CB C 32 32.105 32.105 31.903 0.202 19331 2843 1 9 . 1 1 32 32 MET H H 32 7.974 7.974 7.525 0.449 19331 2844 1 9 . 1 1 33 33 VAL N N 33 119.384 119.384 118.272 1.112 19331 2845 1 9 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.623 -0.081 19331 2846 1 9 . 1 1 33 33 VAL C C 33 179.275 179.275 177.773 1.502 19331 2847 1 9 . 1 1 33 33 VAL CA C 33 66.653 66.653 67.193 -0.540 19331 2848 1 9 . 1 1 33 33 VAL CB C 33 31.815 31.815 30.958 0.857 19331 2849 1 9 . 1 1 33 33 VAL H H 33 7.747 7.747 8.132 -0.385 19331 2850 1 9 . 1 1 34 34 HIS N N 34 120.938 120.938 119.717 1.221 19331 2851 1 9 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.214 0.006 19331 2852 1 9 . 1 1 34 34 HIS C C 34 178.486 178.486 177.436 1.050 19331 2853 1 9 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.484 0.314 19331 2854 1 9 . 1 1 34 34 HIS CB C 34 28.036 28.036 30.120 -2.084 19331 2855 1 9 . 1 1 34 34 HIS H H 34 8.664 8.664 7.856 0.808 19331 2856 1 9 . 1 1 35 35 LYS N N 35 119.725 119.725 118.588 1.137 19331 2857 1 9 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.027 -0.311 19331 2858 1 9 . 1 1 35 35 LYS C C 35 178.526 178.526 179.639 -1.113 19331 2859 1 9 . 1 1 35 35 LYS CA C 35 60.666 60.666 58.537 2.129 19331 2860 1 9 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.146 -0.718 19331 2861 1 9 . 1 1 35 35 LYS H H 35 9.034 9.034 7.933 1.101 19331 2862 1 9 . 1 1 36 36 ARG N N 36 118.491 118.491 119.178 -0.687 19331 2863 1 9 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.128 0.021 19331 2864 1 9 . 1 1 36 36 ARG C C 36 177.752 177.752 177.816 -0.064 19331 2865 1 9 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.626 -0.519 19331 2866 1 9 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.377 0.337 19331 2867 1 9 . 1 1 36 36 ARG H H 36 7.458 7.458 8.141 -0.683 19331 2868 1 9 . 1 1 37 37 SER N N 37 113.811 113.811 111.122 2.689 19331 2869 1 9 . 1 1 37 37 SER HA H 37 4.202 4.202 4.287 -0.085 19331 2870 1 9 . 1 1 37 37 SER C C 37 174.576 174.576 174.896 -0.320 19331 2871 1 9 . 1 1 37 37 SER CA C 37 60.412 60.412 60.060 0.352 19331 2872 1 9 . 1 1 37 37 SER CB C 37 62.129 62.129 63.505 -1.375 19331 2873 1 9 . 1 1 37 37 SER H H 37 7.771 7.771 7.708 0.063 19331 2874 1 9 . 1 1 38 38 HIS N N 38 118.829 118.829 121.269 -2.440 19331 2875 1 9 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.721 0.273 19331 2876 1 9 . 1 1 38 38 HIS C C 38 174.977 174.977 174.772 0.205 19331 2877 1 9 . 1 1 38 38 HIS CA C 38 54.798 54.798 54.929 -0.131 19331 2878 1 9 . 1 1 38 38 HIS CB C 38 28.317 28.317 29.701 -1.384 19331 2879 1 9 . 1 1 38 38 HIS H H 38 7.265 7.265 7.546 -0.281 19331 2880 1 9 . 1 1 39 39 THR N N 39 113.289 113.289 117.405 -4.116 19331 2881 1 9 . 1 1 39 39 THR HA H 39 4.353 4.353 4.541 -0.188 19331 2882 1 9 . 1 1 39 39 THR C C 39 174.977 174.977 175.176 -0.199 19331 2883 1 9 . 1 1 39 39 THR CA C 39 62.252 62.252 61.369 0.883 19331 2884 1 9 . 1 1 39 39 THR CB C 39 69.773 69.773 68.533 1.240 19331 2885 1 9 . 1 1 39 39 THR H H 39 7.814 7.814 8.246 -0.432 19331 2886 1 9 . 1 1 40 40 GLY N N 40 110.879 110.879 114.688 -3.809 19331 2887 1 9 . 1 1 40 40 GLY C C 40 173.802 173.802 173.869 -0.067 19331 2888 1 9 . 1 1 40 40 GLY CA C 40 45.173 45.173 44.636 0.537 19331 2889 1 9 . 1 1 40 40 GLY H H 40 8.425 8.425 7.967 0.458 19331 2890 1 9 . 1 1 41 41 GLU N N 41 120.081 120.081 117.971 2.110 19331 2891 1 9 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.026 0.197 19331 2892 1 9 . 1 1 41 41 GLU C C 41 176.151 176.151 175.283 0.868 19331 2893 1 9 . 1 1 41 41 GLU CA C 41 56.710 56.710 57.468 -0.758 19331 2894 1 9 . 1 1 41 41 GLU CB C 41 30.550 30.550 29.753 0.797 19331 2895 1 9 . 1 1 41 41 GLU H H 41 8.127 8.127 8.323 -0.196 19331 2896 1 9 . 1 1 42 42 ARG N N 42 121.379 121.379 121.890 -0.511 19331 2897 1 9 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.295 0.235 19331 2898 1 9 . 1 1 42 42 ARG CA C 42 53.378 53.378 54.594 -1.216 19331 2899 1 9 . 1 1 42 42 ARG CB C 42 30.025 30.025 29.991 0.034 19331 2900 1 9 . 1 1 42 42 ARG H H 42 8.370 8.370 8.329 0.041 19331 2901 1 9 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.222 0.038 19331 2902 1 9 . 1 1 43 43 PRO C C 43 176.151 176.151 176.212 -0.061 19331 2903 1 9 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.726 0.926 19331 2904 1 9 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.888 0.181 19331 2905 1 9 . 1 1 44 44 PHE N N 44 116.589 116.589 126.242 -9.653 19331 2906 1 9 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.623 0.222 19331 2907 1 9 . 1 1 44 44 PHE C C 44 174.603 174.603 175.202 -0.599 19331 2908 1 9 . 1 1 44 44 PHE CA C 44 57.080 57.080 56.516 0.564 19331 2909 1 9 . 1 1 44 44 PHE CB C 44 39.654 39.654 37.088 2.566 19331 2910 1 9 . 1 1 44 44 PHE H H 44 7.659 7.659 8.325 -0.666 19331 2911 1 9 . 1 1 45 45 HIS N N 45 121.791 121.791 120.808 0.983 19331 2912 1 9 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.557 0.734 19331 2913 1 9 . 1 1 45 45 HIS C C 45 172.655 172.655 174.566 -1.911 19331 2914 1 9 . 1 1 45 45 HIS CA C 45 54.560 54.560 56.584 -2.025 19331 2915 1 9 . 1 1 45 45 HIS CB C 45 31.774 31.774 31.423 0.351 19331 2916 1 9 . 1 1 45 45 HIS H H 45 9.070 9.070 7.947 1.123 19331 2917 1 9 . 1 1 46 46 CYS N N 46 125.392 125.392 127.450 -2.058 19331 2918 1 9 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.379 0.163 19331 2919 1 9 . 1 1 46 46 CYS C C 46 176.525 176.525 174.328 2.197 19331 2920 1 9 . 1 1 46 46 CYS CA C 46 59.233 59.233 60.499 -1.266 19331 2921 1 9 . 1 1 46 46 CYS CB C 46 29.948 29.948 27.706 2.242 19331 2922 1 9 . 1 1 46 46 CYS H H 46 9.189 9.189 8.565 0.624 19331 2923 1 9 . 1 1 47 47 ASN N N 47 128.827 128.827 115.018 13.809 19331 2924 1 9 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.644 0.053 19331 2925 1 9 . 1 1 47 47 ASN C C 47 175.433 175.433 174.016 1.417 19331 2926 1 9 . 1 1 47 47 ASN CA C 47 54.982 54.982 54.217 0.765 19331 2927 1 9 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.503 -0.266 19331 2928 1 9 . 1 1 47 47 ASN H H 47 9.302 9.302 8.491 0.811 19331 2929 1 9 . 1 1 48 48 GLN N N 48 120.952 120.952 118.508 2.444 19331 2930 1 9 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.529 -0.222 19331 2931 1 9 . 1 1 48 48 GLN C C 48 176.151 176.151 176.477 -0.326 19331 2932 1 9 . 1 1 48 48 GLN CA C 48 57.832 57.832 56.347 1.485 19331 2933 1 9 . 1 1 48 48 GLN CB C 48 29.163 29.163 29.138 0.025 19331 2934 1 9 . 1 1 48 48 GLN H H 48 9.139 9.139 8.417 0.722 19331 2935 1 9 . 1 1 49 49 CYS N N 49 116.176 116.176 117.021 -0.845 19331 2936 1 9 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.883 0.266 19331 2937 1 9 . 1 1 49 49 CYS C C 49 175.430 175.430 176.027 -0.597 19331 2938 1 9 . 1 1 49 49 CYS CA C 49 58.349 58.349 58.813 -0.464 19331 2939 1 9 . 1 1 49 49 CYS CB C 49 32.264 32.264 27.241 5.022 19331 2940 1 9 . 1 1 49 49 CYS H H 49 8.117 8.117 8.283 -0.166 19331 2941 1 9 . 1 1 50 50 GLY N N 50 111.724 111.724 109.498 2.226 19331 2942 1 9 . 1 1 50 50 GLY C C 50 173.758 173.758 174.277 -0.519 19331 2943 1 9 . 1 1 50 50 GLY CA C 50 45.891 45.891 44.777 1.114 19331 2944 1 9 . 1 1 50 50 GLY H H 50 8.142 8.142 8.310 -0.168 19331 2945 1 9 . 1 1 51 51 ALA N N 51 126.041 126.041 123.304 2.737 19331 2946 1 9 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.199 -0.112 19331 2947 1 9 . 1 1 51 51 ALA C C 51 175.350 175.350 175.650 -0.300 19331 2948 1 9 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.683 1.822 19331 2949 1 9 . 1 1 51 51 ALA CB C 51 19.611 19.611 19.773 -0.162 19331 2950 1 9 . 1 1 51 51 ALA H H 51 8.420 8.420 7.408 1.012 19331 2951 1 9 . 1 1 52 52 SER N N 52 113.511 113.511 116.286 -2.775 19331 2952 1 9 . 1 1 52 52 SER HA H 52 5.255 5.255 4.440 0.815 19331 2953 1 9 . 1 1 52 52 SER C C 52 173.002 173.002 172.556 0.446 19331 2954 1 9 . 1 1 52 52 SER CA C 52 56.680 56.680 57.075 -0.395 19331 2955 1 9 . 1 1 52 52 SER CB C 52 65.958 65.958 64.679 1.279 19331 2956 1 9 . 1 1 52 52 SER H H 52 7.829 7.829 7.771 0.058 19331 2957 1 9 . 1 1 53 53 PHE N N 53 117.376 117.376 123.936 -6.560 19331 2958 1 9 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.858 0.020 19331 2959 1 9 . 1 1 53 53 PHE C C 53 174.977 174.977 175.855 -0.878 19331 2960 1 9 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.055 0.501 19331 2961 1 9 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.170 1.704 19331 2962 1 9 . 1 1 53 53 PHE H H 53 8.802 8.802 8.428 0.374 19331 2963 1 9 . 1 1 54 54 THR N N 54 114.290 114.290 114.762 -0.472 19331 2964 1 9 . 1 1 54 54 THR HA H 54 4.553 4.553 4.601 -0.048 19331 2965 1 9 . 1 1 54 54 THR C C 54 174.229 174.229 173.812 0.417 19331 2966 1 9 . 1 1 54 54 THR CA C 54 63.789 63.789 62.058 1.731 19331 2967 1 9 . 1 1 54 54 THR CB C 54 69.491 69.491 69.320 0.171 19331 2968 1 9 . 1 1 54 54 THR H H 54 9.129 9.129 8.690 0.439 19331 2969 1 9 . 1 1 55 55 GLN N N 55 117.684 117.684 119.983 -2.299 19331 2970 1 9 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.482 0.302 19331 2971 1 9 . 1 1 55 55 GLN C C 55 176.124 176.124 175.782 0.342 19331 2972 1 9 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.602 -0.537 19331 2973 1 9 . 1 1 55 55 GLN CB C 55 31.444 31.444 30.669 0.775 19331 2974 1 9 . 1 1 55 55 GLN H H 55 7.563 7.563 8.020 -0.457 19331 2975 1 9 . 1 1 56 56 LYS N N 56 127.497 127.497 124.205 3.292 19331 2976 1 9 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.600 -0.809 19331 2977 1 9 . 1 1 56 56 LYS C C 56 178.179 178.179 178.269 -0.090 19331 2978 1 9 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.510 -0.213 19331 2979 1 9 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.959 -0.225 19331 2980 1 9 . 1 1 56 56 LYS H H 56 8.680 8.680 8.464 0.216 19331 2981 1 9 . 1 1 57 57 GLY N N 57 105.111 105.111 107.897 -2.786 19331 2982 1 9 . 1 1 57 57 GLY C C 57 176.204 176.204 175.945 0.259 19331 2983 1 9 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.392 -0.322 19331 2984 1 9 . 1 1 57 57 GLY H H 57 8.900 8.900 8.419 0.481 19331 2985 1 9 . 1 1 58 58 ASN N N 58 117.732 117.732 119.362 -1.630 19331 2986 1 9 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.289 0.159 19331 2987 1 9 . 1 1 58 58 ASN C C 58 177.325 177.325 176.625 0.700 19331 2988 1 9 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.479 -0.567 19331 2989 1 9 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.551 -0.089 19331 2990 1 9 . 1 1 58 58 ASN H H 58 6.958 6.958 8.050 -1.092 19331 2991 1 9 . 1 1 59 59 LEU N N 59 123.027 123.027 121.915 1.112 19331 2992 1 9 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.816 -0.690 19331 2993 1 9 . 1 1 59 59 LEU C C 59 177.352 177.352 177.824 -0.472 19331 2994 1 9 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.755 -0.096 19331 2995 1 9 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.854 -1.944 19331 2996 1 9 . 1 1 59 59 LEU H H 59 6.885 6.885 7.041 -0.156 19331 2997 1 9 . 1 1 60 60 LEU N N 60 117.860 117.860 117.557 0.303 19331 2998 1 9 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.986 -0.090 19331 2999 1 9 . 1 1 60 60 LEU C C 60 179.669 179.669 179.203 0.466 19331 3000 1 9 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.436 0.702 19331 3001 1 9 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.321 -0.689 19331 3002 1 9 . 1 1 60 60 LEU H H 60 8.078 8.078 8.301 -0.223 19331 3003 1 9 . 1 1 61 61 ARG N N 61 117.382 117.382 117.069 0.313 19331 3004 1 9 . 1 1 61 61 ARG HA H 61 3.928 3.928 4.154 -0.226 19331 3005 1 9 . 1 1 61 61 ARG C C 61 177.752 177.752 178.542 -0.790 19331 3006 1 9 . 1 1 61 61 ARG CA C 61 59.258 59.258 57.431 1.827 19331 3007 1 9 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.356 0.990 19331 3008 1 9 . 1 1 61 61 ARG H H 61 7.414 7.414 7.358 0.056 19331 3009 1 9 . 1 1 62 62 HIS N N 62 119.118 119.118 119.768 -0.650 19331 3010 1 9 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.270 -0.159 19331 3011 1 9 . 1 1 62 62 HIS C C 62 176.978 176.978 177.944 -0.966 19331 3012 1 9 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.311 0.255 19331 3013 1 9 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.113 -1.555 19331 3014 1 9 . 1 1 62 62 HIS H H 62 7.360 7.360 7.431 -0.071 19331 3015 1 9 . 1 1 63 63 ILE N N 63 116.662 116.662 115.355 1.307 19331 3016 1 9 . 1 1 63 63 ILE HA H 63 3.669 3.669 3.839 -0.170 19331 3017 1 9 . 1 1 63 63 ILE C C 63 178.526 178.526 176.931 1.595 19331 3018 1 9 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.432 1.443 19331 3019 1 9 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.703 0.382 19331 3020 1 9 . 1 1 63 63 ILE H H 63 8.500 8.500 7.945 0.555 19331 3021 1 9 . 1 1 64 64 LYS N N 64 119.456 119.456 120.255 -0.799 19331 3022 1 9 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.028 0.040 19331 3023 1 9 . 1 1 64 64 LYS C C 64 178.553 178.553 179.034 -0.481 19331 3024 1 9 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.275 -0.608 19331 3025 1 9 . 1 1 64 64 LYS CB C 64 32.004 32.004 31.835 0.169 19331 3026 1 9 . 1 1 64 64 LYS H H 64 7.174 7.174 7.517 -0.343 19331 3027 1 9 . 1 1 65 65 LEU N N 65 118.539 118.539 118.453 0.086 19331 3028 1 9 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.048 0.016 19331 3029 1 9 . 1 1 65 65 LEU C C 65 178.980 178.980 178.979 0.001 19331 3030 1 9 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.581 -0.974 19331 3031 1 9 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.287 -0.310 19331 3032 1 9 . 1 1 65 65 LEU H H 65 7.744 7.744 7.521 0.223 19331 3033 1 9 . 1 1 66 66 HIS N N 66 115.422 115.422 116.574 -1.152 19331 3034 1 9 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.485 0.248 19331 3035 1 9 . 1 1 66 66 HIS C C 66 175.671 175.671 175.930 -0.259 19331 3036 1 9 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.834 -1.706 19331 3037 1 9 . 1 1 66 66 HIS CB C 66 28.573 28.573 29.479 -0.906 19331 3038 1 9 . 1 1 66 66 HIS H H 66 7.357 7.357 7.236 0.121 19331 3039 1 9 . 1 1 67 67 SER N N 67 115.047 115.047 113.449 1.598 19331 3040 1 9 . 1 1 67 67 SER HA H 67 4.459 4.459 4.513 -0.054 19331 3041 1 9 . 1 1 67 67 SER C C 67 175.003 175.003 174.453 0.550 19331 3042 1 9 . 1 1 67 67 SER CA C 67 59.246 59.246 58.172 1.074 19331 3043 1 9 . 1 1 67 67 SER CB C 67 63.693 63.693 63.105 0.589 19331 3044 1 9 . 1 1 67 67 SER H H 67 7.859 7.859 7.393 0.466 19331 3045 1 9 . 1 1 68 68 GLY N N 68 110.437 110.437 108.430 2.007 19331 3046 1 9 . 1 1 68 68 GLY C C 68 173.812 173.812 173.836 -0.024 19331 3047 1 9 . 1 1 68 68 GLY CA C 68 45.307 45.307 44.798 0.509 19331 3048 1 9 . 1 1 68 68 GLY H H 68 8.281 8.281 7.506 0.775 19331 3049 1 9 . 1 1 69 69 GLU N N 69 120.321 120.321 116.502 3.819 19331 3050 1 9 . 1 1 69 69 GLU HA H 69 4.280 4.280 3.830 0.450 19331 3051 1 9 . 1 1 69 69 GLU C C 69 176.124 176.124 175.885 0.239 19331 3052 1 9 . 1 1 69 69 GLU CA C 69 56.393 56.393 57.281 -0.888 19331 3053 1 9 . 1 1 69 69 GLU CB C 69 30.396 30.396 27.564 2.832 19331 3054 1 9 . 1 1 69 69 GLU H H 69 8.069 8.069 8.058 0.011 19331 3055 1 9 . 1 1 70 70 LYS N N 70 123.278 123.278 119.765 3.513 19331 3056 1 9 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.293 0.301 19331 3057 1 9 . 1 1 70 70 LYS CA C 70 54.065 54.065 55.178 -1.113 19331 3058 1 9 . 1 1 70 70 LYS CB C 70 32.557 32.557 32.501 0.056 19331 3059 1 9 . 1 1 70 70 LYS H H 70 8.349 8.349 7.556 0.793 19331 3060 1 9 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.316 0.075 19331 3061 1 9 . 1 1 71 71 PRO C C 71 176.178 176.178 176.680 -0.502 19331 3062 1 9 . 1 1 71 71 PRO CA C 71 63.143 63.143 63.189 -0.046 19331 3063 1 9 . 1 1 71 71 PRO CB C 71 31.837 31.837 31.751 0.086 19331 3064 1 9 . 1 1 72 72 PHE N N 72 120.324 120.324 121.850 -1.526 19331 3065 1 9 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.370 0.236 19331 3066 1 9 . 1 1 72 72 PHE C C 72 174.546 174.546 175.948 -1.402 19331 3067 1 9 . 1 1 72 72 PHE CA C 72 57.543 57.543 58.323 -0.780 19331 3068 1 9 . 1 1 72 72 PHE CB C 72 39.501 39.501 38.375 1.126 19331 3069 1 9 . 1 1 72 72 PHE H H 72 8.177 8.177 8.160 0.017 19331 3070 1 10 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.627 -0.367 19331 3071 1 10 . 1 1 12 12 PRO C C 12 175.377 175.377 176.069 -0.692 19331 3072 1 10 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.490 0.894 19331 3073 1 10 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.720 -0.651 19331 3074 1 10 . 1 1 13 13 ASN N N 13 123.885 123.885 118.596 5.289 19331 3075 1 10 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.760 -0.296 19331 3076 1 10 . 1 1 13 13 ASN C C 13 176.178 176.178 176.140 0.038 19331 3077 1 10 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.986 1.848 19331 3078 1 10 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.895 1.110 19331 3079 1 10 . 1 1 13 13 ASN H H 13 8.001 8.001 8.568 -0.567 19331 3080 1 10 . 1 1 14 14 GLY N N 14 113.831 113.831 112.988 0.843 19331 3081 1 10 . 1 1 14 14 GLY C C 14 174.152 174.152 173.971 0.181 19331 3082 1 10 . 1 1 14 14 GLY CA C 14 45.365 45.365 44.738 0.627 19331 3083 1 10 . 1 1 14 14 GLY H H 14 8.367 8.367 8.677 -0.310 19331 3084 1 10 . 1 1 15 15 LYS N N 15 119.903 119.903 121.330 -1.427 19331 3085 1 10 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.511 -0.214 19331 3086 1 10 . 1 1 15 15 LYS C C 15 176.217 176.217 175.727 0.490 19331 3087 1 10 . 1 1 15 15 LYS CA C 15 56.921 56.921 56.118 0.803 19331 3088 1 10 . 1 1 15 15 LYS CB C 15 32.804 32.804 33.055 -0.251 19331 3089 1 10 . 1 1 15 15 LYS H H 15 8.200 8.200 7.788 0.412 19331 3090 1 10 . 1 1 16 16 LEU N N 16 122.670 122.670 119.742 2.928 19331 3091 1 10 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.760 -0.306 19331 3092 1 10 . 1 1 16 16 LEU C C 16 173.805 173.805 175.730 -1.925 19331 3093 1 10 . 1 1 16 16 LEU CA C 16 55.080 55.080 53.528 1.552 19331 3094 1 10 . 1 1 16 16 LEU CB C 16 41.852 41.852 43.780 -1.928 19331 3095 1 10 . 1 1 16 16 LEU H H 16 8.394 8.394 8.098 0.296 19331 3096 1 10 . 1 1 17 17 LYS N N 17 120.445 120.445 120.382 0.063 19331 3097 1 10 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.587 0.290 19331 3098 1 10 . 1 1 17 17 LYS C C 17 175.777 175.777 175.649 0.128 19331 3099 1 10 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.613 -1.124 19331 3100 1 10 . 1 1 17 17 LYS CB C 17 35.154 35.154 35.004 0.150 19331 3101 1 10 . 1 1 17 17 LYS H H 17 8.026 8.026 8.308 -0.282 19331 3102 1 10 . 1 1 18 18 CYS N N 18 127.176 127.176 124.300 2.876 19331 3103 1 10 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.365 -0.138 19331 3104 1 10 . 1 1 18 18 CYS C C 18 176.551 176.551 175.392 1.159 19331 3105 1 10 . 1 1 18 18 CYS CA C 18 60.677 60.677 59.427 1.250 19331 3106 1 10 . 1 1 18 18 CYS CB C 18 29.821 29.821 27.577 2.244 19331 3107 1 10 . 1 1 18 18 CYS H H 18 9.071 9.071 8.669 0.402 19331 3108 1 10 . 1 1 19 19 ASP N N 19 130.419 130.419 126.969 3.450 19331 3109 1 10 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.599 -0.235 19331 3110 1 10 . 1 1 19 19 ASP C C 19 175.433 175.433 176.197 -0.764 19331 3111 1 10 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.088 1.583 19331 3112 1 10 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.935 -2.322 19331 3113 1 10 . 1 1 19 19 ASP H H 19 9.137 9.137 8.374 0.763 19331 3114 1 10 . 1 1 20 20 VAL N N 20 123.067 123.067 122.722 0.345 19331 3115 1 10 . 1 1 20 20 VAL HA H 20 3.822 3.822 3.994 -0.172 19331 3116 1 10 . 1 1 20 20 VAL C C 20 177.009 177.009 175.826 1.183 19331 3117 1 10 . 1 1 20 20 VAL CA C 20 65.362 65.362 62.807 2.555 19331 3118 1 10 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.635 0.335 19331 3119 1 10 . 1 1 20 20 VAL H H 20 9.022 9.022 8.210 0.812 19331 3120 1 10 . 1 1 21 21 CYS N N 21 115.484 115.484 126.842 -11.358 19331 3121 1 10 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.609 0.506 19331 3122 1 10 . 1 1 21 21 CYS C C 21 176.178 176.178 174.798 1.380 19331 3123 1 10 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.965 -0.898 19331 3124 1 10 . 1 1 21 21 CYS CB C 21 33.096 33.096 28.948 4.148 19331 3125 1 10 . 1 1 21 21 CYS H H 21 8.092 8.092 8.232 -0.140 19331 3126 1 10 . 1 1 22 22 GLY N N 22 113.222 113.222 113.209 0.013 19331 3127 1 10 . 1 1 22 22 GLY C C 22 173.028 173.028 173.228 -0.200 19331 3128 1 10 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.529 1.212 19331 3129 1 10 . 1 1 22 22 GLY H H 22 7.931 7.931 8.397 -0.466 19331 3130 1 10 . 1 1 23 23 MET N N 23 122.930 122.930 123.957 -1.027 19331 3131 1 10 . 1 1 23 23 MET HA H 23 4.075 4.075 4.635 -0.560 19331 3132 1 10 . 1 1 23 23 MET C C 23 174.950 174.950 175.392 -0.442 19331 3133 1 10 . 1 1 23 23 MET CA C 23 57.226 57.226 54.776 2.450 19331 3134 1 10 . 1 1 23 23 MET CB C 23 33.750 33.750 33.369 0.381 19331 3135 1 10 . 1 1 23 23 MET H H 23 8.276 8.276 8.119 0.157 19331 3136 1 10 . 1 1 24 24 VAL N N 24 126.800 126.800 121.095 5.705 19331 3137 1 10 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.309 0.021 19331 3138 1 10 . 1 1 24 24 VAL C C 24 176.124 176.124 174.934 1.190 19331 3139 1 10 . 1 1 24 24 VAL CA C 24 62.581 62.581 62.218 0.363 19331 3140 1 10 . 1 1 24 24 VAL CB C 24 31.843 31.843 32.907 -1.063 19331 3141 1 10 . 1 1 24 24 VAL H H 24 8.466 8.466 8.391 0.075 19331 3142 1 10 . 1 1 25 25 CYS N N 25 125.377 125.377 125.261 0.116 19331 3143 1 10 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.754 -0.025 19331 3144 1 10 . 1 1 25 25 CYS C C 25 173.829 173.829 174.192 -0.363 19331 3145 1 10 . 1 1 25 25 CYS CA C 25 57.510 57.510 57.511 -0.001 19331 3146 1 10 . 1 1 25 25 CYS CB C 25 31.649 31.649 29.448 2.201 19331 3147 1 10 . 1 1 25 25 CYS H H 25 8.720 8.720 8.506 0.214 19331 3148 1 10 . 1 1 26 26 ILE N N 26 119.435 119.435 124.828 -5.393 19331 3149 1 10 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.221 -0.051 19331 3150 1 10 . 1 1 26 26 ILE C C 26 175.334 175.334 175.724 -0.390 19331 3151 1 10 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.852 0.094 19331 3152 1 10 . 1 1 26 26 ILE CB C 26 37.870 37.870 38.909 -1.039 19331 3153 1 10 . 1 1 26 26 ILE H H 26 8.407 8.407 8.368 0.039 19331 3154 1 10 . 1 1 27 27 GLY N N 27 109.455 109.455 115.351 -5.896 19331 3155 1 10 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.135 0.464 19331 3156 1 10 . 1 1 27 27 GLY H H 27 7.444 7.444 8.396 -0.952 19331 3157 1 10 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.437 -0.257 19331 3158 1 10 . 1 1 28 28 PRO C C 28 178.526 178.526 176.332 2.194 19331 3159 1 10 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.299 2.715 19331 3160 1 10 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.404 -0.656 19331 3161 1 10 . 1 1 29 29 ASN N N 29 118.871 118.871 120.863 -1.992 19331 3162 1 10 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.725 -0.151 19331 3163 1 10 . 1 1 29 29 ASN C C 29 176.925 176.925 175.914 1.011 19331 3164 1 10 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.296 4.158 19331 3165 1 10 . 1 1 29 29 ASN CB C 29 37.481 37.481 36.919 0.562 19331 3166 1 10 . 1 1 29 29 ASN H H 29 8.722 8.722 8.604 0.118 19331 3167 1 10 . 1 1 30 30 VAL N N 30 120.904 120.904 118.420 2.484 19331 3168 1 10 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.929 -0.212 19331 3169 1 10 . 1 1 30 30 VAL C C 30 178.526 178.526 176.991 1.535 19331 3170 1 10 . 1 1 30 30 VAL CA C 30 65.881 65.881 65.256 0.625 19331 3171 1 10 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.529 0.311 19331 3172 1 10 . 1 1 30 30 VAL H H 30 7.475 7.475 7.743 -0.268 19331 3173 1 10 . 1 1 31 31 LEU N N 31 120.665 120.665 117.000 3.665 19331 3174 1 10 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.113 0.354 19331 3175 1 10 . 1 1 31 31 LEU C C 31 177.379 177.379 178.622 -1.243 19331 3176 1 10 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.568 0.534 19331 3177 1 10 . 1 1 31 31 LEU CB C 31 41.367 41.367 40.525 0.842 19331 3178 1 10 . 1 1 31 31 LEU H H 31 7.853 7.853 7.890 -0.037 19331 3179 1 10 . 1 1 32 32 MET N N 32 117.671 117.671 119.029 -1.358 19331 3180 1 10 . 1 1 32 32 MET HA H 32 4.099 4.099 4.182 -0.083 19331 3181 1 10 . 1 1 32 32 MET C C 32 178.927 178.927 178.050 0.877 19331 3182 1 10 . 1 1 32 32 MET CA C 32 59.015 59.015 58.710 0.305 19331 3183 1 10 . 1 1 32 32 MET CB C 32 32.105 32.105 32.603 -0.498 19331 3184 1 10 . 1 1 32 32 MET H H 32 7.974 7.974 7.436 0.538 19331 3185 1 10 . 1 1 33 33 VAL N N 33 119.384 119.384 119.084 0.300 19331 3186 1 10 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.475 0.067 19331 3187 1 10 . 1 1 33 33 VAL C C 33 179.275 179.275 177.870 1.405 19331 3188 1 10 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.554 0.099 19331 3189 1 10 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.360 0.455 19331 3190 1 10 . 1 1 33 33 VAL H H 33 7.747 7.747 7.539 0.208 19331 3191 1 10 . 1 1 34 34 HIS N N 34 120.938 120.938 119.608 1.330 19331 3192 1 10 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.145 0.075 19331 3193 1 10 . 1 1 34 34 HIS C C 34 178.486 178.486 177.176 1.310 19331 3194 1 10 . 1 1 34 34 HIS CA C 34 59.798 59.798 60.258 -0.460 19331 3195 1 10 . 1 1 34 34 HIS CB C 34 28.036 28.036 30.021 -1.985 19331 3196 1 10 . 1 1 34 34 HIS H H 34 8.664 8.664 8.306 0.358 19331 3197 1 10 . 1 1 35 35 LYS N N 35 119.725 119.725 118.291 1.434 19331 3198 1 10 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.003 -0.287 19331 3199 1 10 . 1 1 35 35 LYS C C 35 178.526 178.526 179.031 -0.505 19331 3200 1 10 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.463 1.203 19331 3201 1 10 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.282 -0.854 19331 3202 1 10 . 1 1 35 35 LYS H H 35 9.034 9.034 7.641 1.393 19331 3203 1 10 . 1 1 36 36 ARG N N 36 118.491 118.491 120.399 -1.908 19331 3204 1 10 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.133 0.016 19331 3205 1 10 . 1 1 36 36 ARG C C 36 177.752 177.752 178.689 -0.937 19331 3206 1 10 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.593 -0.486 19331 3207 1 10 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.806 -0.092 19331 3208 1 10 . 1 1 36 36 ARG H H 36 7.458 7.458 8.111 -0.653 19331 3209 1 10 . 1 1 37 37 SER N N 37 113.811 113.811 114.554 -0.743 19331 3210 1 10 . 1 1 37 37 SER HA H 37 4.202 4.202 4.239 -0.037 19331 3211 1 10 . 1 1 37 37 SER C C 37 174.576 174.576 176.418 -1.842 19331 3212 1 10 . 1 1 37 37 SER CA C 37 60.412 60.412 61.275 -0.863 19331 3213 1 10 . 1 1 37 37 SER CB C 37 62.129 62.129 63.145 -1.016 19331 3214 1 10 . 1 1 37 37 SER H H 37 7.771 7.771 8.011 -0.240 19331 3215 1 10 . 1 1 38 38 HIS N N 38 118.829 118.829 118.061 0.768 19331 3216 1 10 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.526 0.468 19331 3217 1 10 . 1 1 38 38 HIS C C 38 174.977 174.977 175.263 -0.286 19331 3218 1 10 . 1 1 38 38 HIS CA C 38 54.798 54.798 57.396 -2.598 19331 3219 1 10 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.794 -2.478 19331 3220 1 10 . 1 1 38 38 HIS H H 38 7.265 7.265 7.600 -0.335 19331 3221 1 10 . 1 1 39 39 THR N N 39 113.289 113.289 112.472 0.817 19331 3222 1 10 . 1 1 39 39 THR HA H 39 4.353 4.353 4.034 0.319 19331 3223 1 10 . 1 1 39 39 THR C C 39 174.977 174.977 174.296 0.681 19331 3224 1 10 . 1 1 39 39 THR CA C 39 62.252 62.252 62.564 -0.312 19331 3225 1 10 . 1 1 39 39 THR CB C 39 69.773 69.773 69.199 0.574 19331 3226 1 10 . 1 1 39 39 THR H H 39 7.814 7.814 8.051 -0.237 19331 3227 1 10 . 1 1 40 40 GLY N N 40 110.879 110.879 111.616 -0.737 19331 3228 1 10 . 1 1 40 40 GLY C C 40 173.802 173.802 173.071 0.731 19331 3229 1 10 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.261 -0.088 19331 3230 1 10 . 1 1 40 40 GLY H H 40 8.425 8.425 8.251 0.174 19331 3231 1 10 . 1 1 41 41 GLU N N 41 120.081 120.081 122.707 -2.626 19331 3232 1 10 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.354 -0.132 19331 3233 1 10 . 1 1 41 41 GLU C C 41 176.151 176.151 176.384 -0.233 19331 3234 1 10 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.124 0.586 19331 3235 1 10 . 1 1 41 41 GLU CB C 41 30.550 30.550 30.426 0.124 19331 3236 1 10 . 1 1 41 41 GLU H H 41 8.127 8.127 8.420 -0.293 19331 3237 1 10 . 1 1 42 42 ARG N N 42 121.379 121.379 126.144 -4.765 19331 3238 1 10 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.382 0.148 19331 3239 1 10 . 1 1 42 42 ARG CA C 42 53.378 53.378 53.913 -0.536 19331 3240 1 10 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.022 0.003 19331 3241 1 10 . 1 1 42 42 ARG H H 42 8.370 8.370 8.280 0.090 19331 3242 1 10 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.325 -0.065 19331 3243 1 10 . 1 1 43 43 PRO C C 43 176.151 176.151 176.041 0.110 19331 3244 1 10 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.843 0.809 19331 3245 1 10 . 1 1 43 43 PRO CB C 43 32.069 32.069 32.242 -0.173 19331 3246 1 10 . 1 1 44 44 PHE N N 44 116.589 116.589 112.810 3.779 19331 3247 1 10 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.178 0.667 19331 3248 1 10 . 1 1 44 44 PHE C C 44 174.603 174.603 174.772 -0.169 19331 3249 1 10 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.432 -0.352 19331 3250 1 10 . 1 1 44 44 PHE CB C 44 39.654 39.654 37.022 2.632 19331 3251 1 10 . 1 1 44 44 PHE H H 44 7.659 7.659 7.704 -0.045 19331 3252 1 10 . 1 1 45 45 HIS N N 45 121.791 121.791 119.799 1.992 19331 3253 1 10 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.977 0.314 19331 3254 1 10 . 1 1 45 45 HIS C C 45 172.655 172.655 175.582 -2.927 19331 3255 1 10 . 1 1 45 45 HIS CA C 45 54.560 54.560 55.176 -0.616 19331 3256 1 10 . 1 1 45 45 HIS CB C 45 31.774 31.774 30.317 1.457 19331 3257 1 10 . 1 1 45 45 HIS H H 45 9.070 9.070 8.154 0.916 19331 3258 1 10 . 1 1 46 46 CYS N N 46 125.392 125.392 129.099 -3.707 19331 3259 1 10 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.292 0.250 19331 3260 1 10 . 1 1 46 46 CYS C C 46 176.525 176.525 174.162 2.363 19331 3261 1 10 . 1 1 46 46 CYS CA C 46 59.233 59.233 58.616 0.617 19331 3262 1 10 . 1 1 46 46 CYS CB C 46 29.948 29.948 26.306 3.642 19331 3263 1 10 . 1 1 46 46 CYS H H 46 9.189 9.189 8.448 0.741 19331 3264 1 10 . 1 1 47 47 ASN N N 47 128.827 128.827 126.918 1.909 19331 3265 1 10 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.829 -0.132 19331 3266 1 10 . 1 1 47 47 ASN C C 47 175.433 175.433 174.820 0.613 19331 3267 1 10 . 1 1 47 47 ASN CA C 47 54.982 54.982 54.228 0.754 19331 3268 1 10 . 1 1 47 47 ASN CB C 47 38.237 38.237 37.965 0.272 19331 3269 1 10 . 1 1 47 47 ASN H H 47 9.302 9.302 8.765 0.537 19331 3270 1 10 . 1 1 48 48 GLN N N 48 120.952 120.952 122.057 -1.105 19331 3271 1 10 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.410 -0.103 19331 3272 1 10 . 1 1 48 48 GLN C C 48 176.151 176.151 175.863 0.288 19331 3273 1 10 . 1 1 48 48 GLN CA C 48 57.832 57.832 57.055 0.777 19331 3274 1 10 . 1 1 48 48 GLN CB C 48 29.163 29.163 28.885 0.278 19331 3275 1 10 . 1 1 48 48 GLN H H 48 9.139 9.139 8.146 0.993 19331 3276 1 10 . 1 1 49 49 CYS N N 49 116.176 116.176 119.730 -3.554 19331 3277 1 10 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.853 0.296 19331 3278 1 10 . 1 1 49 49 CYS C C 49 175.430 175.430 176.470 -1.040 19331 3279 1 10 . 1 1 49 49 CYS CA C 49 58.349 58.349 60.350 -2.001 19331 3280 1 10 . 1 1 49 49 CYS CB C 49 32.264 32.264 29.794 2.470 19331 3281 1 10 . 1 1 49 49 CYS H H 49 8.117 8.117 8.363 -0.246 19331 3282 1 10 . 1 1 50 50 GLY N N 50 111.724 111.724 107.796 3.928 19331 3283 1 10 . 1 1 50 50 GLY C C 50 173.758 173.758 173.341 0.417 19331 3284 1 10 . 1 1 50 50 GLY CA C 50 45.891 45.891 44.969 0.922 19331 3285 1 10 . 1 1 50 50 GLY H H 50 8.142 8.142 8.245 -0.103 19331 3286 1 10 . 1 1 51 51 ALA N N 51 126.041 126.041 122.621 3.420 19331 3287 1 10 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.288 -0.201 19331 3288 1 10 . 1 1 51 51 ALA C C 51 175.350 175.350 175.209 0.141 19331 3289 1 10 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.448 2.057 19331 3290 1 10 . 1 1 51 51 ALA CB C 51 19.611 19.611 19.767 -0.156 19331 3291 1 10 . 1 1 51 51 ALA H H 51 8.420 8.420 7.721 0.699 19331 3292 1 10 . 1 1 52 52 SER N N 52 113.511 113.511 113.951 -0.440 19331 3293 1 10 . 1 1 52 52 SER HA H 52 5.255 5.255 5.245 0.010 19331 3294 1 10 . 1 1 52 52 SER C C 52 173.002 173.002 172.809 0.193 19331 3295 1 10 . 1 1 52 52 SER CA C 52 56.680 56.680 56.615 0.065 19331 3296 1 10 . 1 1 52 52 SER CB C 52 65.958 65.958 66.285 -0.327 19331 3297 1 10 . 1 1 52 52 SER H H 52 7.829 7.829 7.661 0.168 19331 3298 1 10 . 1 1 53 53 PHE N N 53 117.376 117.376 121.075 -3.699 19331 3299 1 10 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.783 0.095 19331 3300 1 10 . 1 1 53 53 PHE C C 53 174.977 174.977 175.521 -0.544 19331 3301 1 10 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.452 0.104 19331 3302 1 10 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.449 1.425 19331 3303 1 10 . 1 1 53 53 PHE H H 53 8.802 8.802 8.625 0.177 19331 3304 1 10 . 1 1 54 54 THR N N 54 114.290 114.290 113.907 0.383 19331 3305 1 10 . 1 1 54 54 THR HA H 54 4.553 4.553 4.507 0.046 19331 3306 1 10 . 1 1 54 54 THR C C 54 174.229 174.229 174.100 0.129 19331 3307 1 10 . 1 1 54 54 THR CA C 54 63.789 63.789 62.475 1.314 19331 3308 1 10 . 1 1 54 54 THR CB C 54 69.491 69.491 69.641 -0.150 19331 3309 1 10 . 1 1 54 54 THR H H 54 9.129 9.129 8.574 0.555 19331 3310 1 10 . 1 1 55 55 GLN N N 55 117.684 117.684 120.099 -2.415 19331 3311 1 10 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.599 0.185 19331 3312 1 10 . 1 1 55 55 GLN C C 55 176.124 176.124 176.209 -0.085 19331 3313 1 10 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.797 -0.732 19331 3314 1 10 . 1 1 55 55 GLN CB C 55 31.444 31.444 30.838 0.606 19331 3315 1 10 . 1 1 55 55 GLN H H 55 7.563 7.563 7.916 -0.353 19331 3316 1 10 . 1 1 56 56 LYS N N 56 127.497 127.497 123.741 3.756 19331 3317 1 10 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.569 -0.778 19331 3318 1 10 . 1 1 56 56 LYS C C 56 178.179 178.179 178.432 -0.253 19331 3319 1 10 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.023 0.274 19331 3320 1 10 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.926 -0.192 19331 3321 1 10 . 1 1 56 56 LYS H H 56 8.680 8.680 8.805 -0.125 19331 3322 1 10 . 1 1 57 57 GLY N N 57 105.111 105.111 107.519 -2.408 19331 3323 1 10 . 1 1 57 57 GLY C C 57 176.204 176.204 176.280 -0.076 19331 3324 1 10 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.255 -0.185 19331 3325 1 10 . 1 1 57 57 GLY H H 57 8.900 8.900 8.617 0.283 19331 3326 1 10 . 1 1 58 58 ASN N N 58 117.732 117.732 119.211 -1.479 19331 3327 1 10 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.416 0.032 19331 3328 1 10 . 1 1 58 58 ASN C C 58 177.325 177.325 176.815 0.510 19331 3329 1 10 . 1 1 58 58 ASN CA C 58 54.912 54.912 54.975 -0.063 19331 3330 1 10 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.639 -0.177 19331 3331 1 10 . 1 1 58 58 ASN H H 58 6.958 6.958 8.417 -1.459 19331 3332 1 10 . 1 1 59 59 LEU N N 59 123.027 123.027 122.416 0.611 19331 3333 1 10 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.760 -0.634 19331 3334 1 10 . 1 1 59 59 LEU C C 59 177.352 177.352 177.804 -0.452 19331 3335 1 10 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.280 0.379 19331 3336 1 10 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.672 -1.762 19331 3337 1 10 . 1 1 59 59 LEU H H 59 6.885 6.885 7.381 -0.496 19331 3338 1 10 . 1 1 60 60 LEU N N 60 117.860 117.860 118.862 -1.002 19331 3339 1 10 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.884 0.012 19331 3340 1 10 . 1 1 60 60 LEU C C 60 179.669 179.669 179.115 0.554 19331 3341 1 10 . 1 1 60 60 LEU CA C 60 58.138 58.138 58.009 0.129 19331 3342 1 10 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.250 -0.618 19331 3343 1 10 . 1 1 60 60 LEU H H 60 8.078 8.078 8.308 -0.230 19331 3344 1 10 . 1 1 61 61 ARG N N 61 117.382 117.382 118.706 -1.324 19331 3345 1 10 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.988 -0.060 19331 3346 1 10 . 1 1 61 61 ARG C C 61 177.752 177.752 178.419 -0.667 19331 3347 1 10 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.732 0.526 19331 3348 1 10 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.729 0.617 19331 3349 1 10 . 1 1 61 61 ARG H H 61 7.414 7.414 7.776 -0.362 19331 3350 1 10 . 1 1 62 62 HIS N N 62 119.118 119.118 119.852 -0.734 19331 3351 1 10 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.360 -0.249 19331 3352 1 10 . 1 1 62 62 HIS C C 62 176.978 176.978 177.864 -0.886 19331 3353 1 10 . 1 1 62 62 HIS CA C 62 59.566 59.566 60.137 -0.571 19331 3354 1 10 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.164 -1.606 19331 3355 1 10 . 1 1 62 62 HIS H H 62 7.360 7.360 7.539 -0.179 19331 3356 1 10 . 1 1 63 63 ILE N N 63 116.662 116.662 115.831 0.831 19331 3357 1 10 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.031 -0.362 19331 3358 1 10 . 1 1 63 63 ILE C C 63 178.526 178.526 177.511 1.015 19331 3359 1 10 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.260 1.615 19331 3360 1 10 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.782 0.303 19331 3361 1 10 . 1 1 63 63 ILE H H 63 8.500 8.500 8.519 -0.019 19331 3362 1 10 . 1 1 64 64 LYS N N 64 119.456 119.456 121.832 -2.376 19331 3363 1 10 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.004 0.064 19331 3364 1 10 . 1 1 64 64 LYS C C 64 178.553 178.553 178.459 0.094 19331 3365 1 10 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.421 -0.754 19331 3366 1 10 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.198 -0.194 19331 3367 1 10 . 1 1 64 64 LYS H H 64 7.174 7.174 7.810 -0.636 19331 3368 1 10 . 1 1 65 65 LEU N N 65 118.539 118.539 118.466 0.073 19331 3369 1 10 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.048 0.016 19331 3370 1 10 . 1 1 65 65 LEU C C 65 178.980 178.980 179.188 -0.208 19331 3371 1 10 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.206 -0.599 19331 3372 1 10 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.530 -0.553 19331 3373 1 10 . 1 1 65 65 LEU H H 65 7.744 7.744 7.578 0.166 19331 3374 1 10 . 1 1 66 66 HIS N N 66 115.422 115.422 116.315 -0.893 19331 3375 1 10 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.445 0.288 19331 3376 1 10 . 1 1 66 66 HIS C C 66 175.671 175.671 175.870 -0.199 19331 3377 1 10 . 1 1 66 66 HIS CA C 66 56.128 56.128 58.064 -1.936 19331 3378 1 10 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.751 -2.178 19331 3379 1 10 . 1 1 66 66 HIS H H 66 7.357 7.357 7.554 -0.197 19331 3380 1 10 . 1 1 67 67 SER N N 67 115.047 115.047 113.243 1.804 19331 3381 1 10 . 1 1 67 67 SER HA H 67 4.459 4.459 4.297 0.162 19331 3382 1 10 . 1 1 67 67 SER C C 67 175.003 175.003 174.136 0.867 19331 3383 1 10 . 1 1 67 67 SER CA C 67 59.246 59.246 59.547 -0.301 19331 3384 1 10 . 1 1 67 67 SER CB C 67 63.693 63.693 62.451 1.242 19331 3385 1 10 . 1 1 67 67 SER H H 67 7.859 7.859 8.069 -0.210 19331 3386 1 10 . 1 1 68 68 GLY N N 68 110.437 110.437 110.892 -0.455 19331 3387 1 10 . 1 1 68 68 GLY C C 68 173.812 173.812 174.617 -0.805 19331 3388 1 10 . 1 1 68 68 GLY CA C 68 45.307 45.307 46.007 -0.700 19331 3389 1 10 . 1 1 68 68 GLY H H 68 8.281 8.281 8.782 -0.501 19331 3390 1 10 . 1 1 69 69 GLU N N 69 120.321 120.321 120.164 0.157 19331 3391 1 10 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.332 -0.052 19331 3392 1 10 . 1 1 69 69 GLU C C 69 176.124 176.124 176.254 -0.130 19331 3393 1 10 . 1 1 69 69 GLU CA C 69 56.393 56.393 57.096 -0.703 19331 3394 1 10 . 1 1 69 69 GLU CB C 69 30.396 30.396 29.720 0.676 19331 3395 1 10 . 1 1 69 69 GLU H H 69 8.069 8.069 8.843 -0.774 19331 3396 1 10 . 1 1 70 70 LYS N N 70 123.278 123.278 118.785 4.493 19331 3397 1 10 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.740 -0.146 19331 3398 1 10 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.458 0.607 19331 3399 1 10 . 1 1 70 70 LYS CB C 70 32.557 32.557 33.304 -0.747 19331 3400 1 10 . 1 1 70 70 LYS H H 70 8.349 8.349 7.540 0.809 19331 3401 1 10 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.619 -0.228 19331 3402 1 10 . 1 1 71 71 PRO C C 71 176.178 176.178 176.491 -0.313 19331 3403 1 10 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.782 0.360 19331 3404 1 10 . 1 1 71 71 PRO CB C 71 31.837 31.837 32.473 -0.636 19331 3405 1 10 . 1 1 72 72 PHE N N 72 120.324 120.324 122.077 -1.753 19331 3406 1 10 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.324 0.282 19331 3407 1 10 . 1 1 72 72 PHE C C 72 174.546 174.546 176.116 -1.570 19331 3408 1 10 . 1 1 72 72 PHE CA C 72 57.543 57.543 59.670 -2.127 19331 3409 1 10 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.592 -0.091 19331 3410 1 10 . 1 1 72 72 PHE H H 72 8.177 8.177 8.479 -0.302 19331 3411 1 11 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.543 -0.283 19331 3412 1 11 . 1 1 12 12 PRO C C 12 175.377 175.377 176.588 -1.211 19331 3413 1 11 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.744 0.641 19331 3414 1 11 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.338 -0.269 19331 3415 1 11 . 1 1 13 13 ASN N N 13 123.885 123.885 121.577 2.308 19331 3416 1 11 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.738 -0.274 19331 3417 1 11 . 1 1 13 13 ASN C C 13 176.178 176.178 175.533 0.645 19331 3418 1 11 . 1 1 13 13 ASN CA C 13 54.834 54.834 53.040 1.794 19331 3419 1 11 . 1 1 13 13 ASN CB C 13 41.005 41.005 38.819 2.186 19331 3420 1 11 . 1 1 13 13 ASN H H 13 8.001 8.001 8.692 -0.691 19331 3421 1 11 . 1 1 14 14 GLY N N 14 113.831 113.831 110.901 2.930 19331 3422 1 11 . 1 1 14 14 GLY C C 14 174.152 174.152 173.869 0.283 19331 3423 1 11 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.200 0.165 19331 3424 1 11 . 1 1 14 14 GLY H H 14 8.367 8.367 8.547 -0.180 19331 3425 1 11 . 1 1 15 15 LYS N N 15 119.903 119.903 123.437 -3.534 19331 3426 1 11 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.708 -0.411 19331 3427 1 11 . 1 1 15 15 LYS C C 15 176.217 176.217 175.470 0.747 19331 3428 1 11 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.742 1.179 19331 3429 1 11 . 1 1 15 15 LYS CB C 15 32.804 32.804 34.322 -1.518 19331 3430 1 11 . 1 1 15 15 LYS H H 15 8.200 8.200 8.272 -0.072 19331 3431 1 11 . 1 1 16 16 LEU N N 16 122.670 122.670 121.535 1.135 19331 3432 1 11 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.810 -0.356 19331 3433 1 11 . 1 1 16 16 LEU C C 16 173.805 173.805 175.835 -2.030 19331 3434 1 11 . 1 1 16 16 LEU CA C 16 55.080 55.080 53.825 1.255 19331 3435 1 11 . 1 1 16 16 LEU CB C 16 41.852 41.852 43.852 -2.000 19331 3436 1 11 . 1 1 16 16 LEU H H 16 8.394 8.394 8.353 0.041 19331 3437 1 11 . 1 1 17 17 LYS N N 17 120.445 120.445 121.778 -1.333 19331 3438 1 11 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.691 0.186 19331 3439 1 11 . 1 1 17 17 LYS C C 17 175.777 175.777 175.776 0.001 19331 3440 1 11 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.518 -1.029 19331 3441 1 11 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.886 1.268 19331 3442 1 11 . 1 1 17 17 LYS H H 17 8.026 8.026 8.348 -0.322 19331 3443 1 11 . 1 1 18 18 CYS N N 18 127.176 127.176 121.308 5.868 19331 3444 1 11 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.644 -0.417 19331 3445 1 11 . 1 1 18 18 CYS C C 18 176.551 176.551 175.052 1.499 19331 3446 1 11 . 1 1 18 18 CYS CA C 18 60.677 60.677 57.524 3.153 19331 3447 1 11 . 1 1 18 18 CYS CB C 18 29.821 29.821 27.616 2.205 19331 3448 1 11 . 1 1 18 18 CYS H H 18 9.071 9.071 8.574 0.497 19331 3449 1 11 . 1 1 19 19 ASP N N 19 130.419 130.419 125.558 4.861 19331 3450 1 11 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.557 -0.193 19331 3451 1 11 . 1 1 19 19 ASP C C 19 175.433 175.433 175.715 -0.282 19331 3452 1 11 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.379 1.292 19331 3453 1 11 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.698 -2.085 19331 3454 1 11 . 1 1 19 19 ASP H H 19 9.137 9.137 8.509 0.628 19331 3455 1 11 . 1 1 20 20 VAL N N 20 123.067 123.067 120.497 2.570 19331 3456 1 11 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.529 -0.707 19331 3457 1 11 . 1 1 20 20 VAL C C 20 177.009 177.009 175.063 1.946 19331 3458 1 11 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.033 4.329 19331 3459 1 11 . 1 1 20 20 VAL CB C 20 32.970 32.970 33.111 -0.141 19331 3460 1 11 . 1 1 20 20 VAL H H 20 9.022 9.022 8.279 0.743 19331 3461 1 11 . 1 1 21 21 CYS N N 21 115.484 115.484 121.779 -6.295 19331 3462 1 11 . 1 1 21 21 CYS HA H 21 5.115 5.115 5.094 0.021 19331 3463 1 11 . 1 1 21 21 CYS C C 21 176.178 176.178 174.685 1.493 19331 3464 1 11 . 1 1 21 21 CYS CA C 21 58.067 58.067 57.650 0.417 19331 3465 1 11 . 1 1 21 21 CYS CB C 21 33.096 33.096 31.076 2.020 19331 3466 1 11 . 1 1 21 21 CYS H H 21 8.092 8.092 8.190 -0.098 19331 3467 1 11 . 1 1 22 22 GLY N N 22 113.222 113.222 108.157 5.065 19331 3468 1 11 . 1 1 22 22 GLY C C 22 173.028 173.028 173.887 -0.859 19331 3469 1 11 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.866 0.875 19331 3470 1 11 . 1 1 22 22 GLY H H 22 7.931 7.931 8.166 -0.235 19331 3471 1 11 . 1 1 23 23 MET N N 23 122.930 122.930 120.691 2.239 19331 3472 1 11 . 1 1 23 23 MET HA H 23 4.075 4.075 4.607 -0.532 19331 3473 1 11 . 1 1 23 23 MET C C 23 174.950 174.950 175.917 -0.967 19331 3474 1 11 . 1 1 23 23 MET CA C 23 57.226 57.226 55.316 1.910 19331 3475 1 11 . 1 1 23 23 MET CB C 23 33.750 33.750 33.112 0.638 19331 3476 1 11 . 1 1 23 23 MET H H 23 8.276 8.276 7.913 0.363 19331 3477 1 11 . 1 1 24 24 VAL N N 24 126.800 126.800 123.972 2.828 19331 3478 1 11 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.413 -0.083 19331 3479 1 11 . 1 1 24 24 VAL C C 24 176.124 176.124 174.537 1.587 19331 3480 1 11 . 1 1 24 24 VAL CA C 24 62.581 62.581 61.774 0.807 19331 3481 1 11 . 1 1 24 24 VAL CB C 24 31.843 31.843 33.898 -2.055 19331 3482 1 11 . 1 1 24 24 VAL H H 24 8.466 8.466 8.167 0.299 19331 3483 1 11 . 1 1 25 25 CYS N N 25 125.377 125.377 126.437 -1.060 19331 3484 1 11 . 1 1 25 25 CYS HA H 25 4.729 4.729 5.052 -0.323 19331 3485 1 11 . 1 1 25 25 CYS C C 25 173.829 173.829 173.952 -0.123 19331 3486 1 11 . 1 1 25 25 CYS CA C 25 57.510 57.510 57.661 -0.151 19331 3487 1 11 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.022 3.627 19331 3488 1 11 . 1 1 25 25 CYS H H 25 8.720 8.720 8.662 0.058 19331 3489 1 11 . 1 1 26 26 ILE N N 26 119.435 119.435 121.254 -1.819 19331 3490 1 11 . 1 1 26 26 ILE HA H 26 4.170 4.170 5.212 -1.042 19331 3491 1 11 . 1 1 26 26 ILE C C 26 175.334 175.334 175.419 -0.085 19331 3492 1 11 . 1 1 26 26 ILE CA C 26 61.946 61.946 60.288 1.658 19331 3493 1 11 . 1 1 26 26 ILE CB C 26 37.870 37.870 40.407 -2.537 19331 3494 1 11 . 1 1 26 26 ILE H H 26 8.407 8.407 8.817 -0.410 19331 3495 1 11 . 1 1 27 27 GLY N N 27 109.455 109.455 109.858 -0.403 19331 3496 1 11 . 1 1 27 27 GLY CA C 27 44.598 44.598 43.910 0.688 19331 3497 1 11 . 1 1 27 27 GLY H H 27 7.444 7.444 8.867 -1.423 19331 3498 1 11 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.520 -0.340 19331 3499 1 11 . 1 1 28 28 PRO C C 28 178.526 178.526 176.573 1.953 19331 3500 1 11 . 1 1 28 28 PRO CA C 28 65.014 65.014 61.969 3.045 19331 3501 1 11 . 1 1 28 28 PRO CB C 28 31.748 31.748 33.905 -2.157 19331 3502 1 11 . 1 1 29 29 ASN N N 29 118.871 118.871 119.694 -0.823 19331 3503 1 11 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.740 -0.166 19331 3504 1 11 . 1 1 29 29 ASN C C 29 176.925 176.925 176.598 0.327 19331 3505 1 11 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.940 3.514 19331 3506 1 11 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.533 -0.052 19331 3507 1 11 . 1 1 29 29 ASN H H 29 8.722 8.722 8.681 0.041 19331 3508 1 11 . 1 1 30 30 VAL N N 30 120.904 120.904 115.800 5.104 19331 3509 1 11 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.586 0.131 19331 3510 1 11 . 1 1 30 30 VAL C C 30 178.526 178.526 176.384 2.142 19331 3511 1 11 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.709 1.172 19331 3512 1 11 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.771 0.069 19331 3513 1 11 . 1 1 30 30 VAL H H 30 7.475 7.475 7.174 0.301 19331 3514 1 11 . 1 1 31 31 LEU N N 31 120.665 120.665 118.919 1.746 19331 3515 1 11 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.091 0.376 19331 3516 1 11 . 1 1 31 31 LEU C C 31 177.379 177.379 178.926 -1.547 19331 3517 1 11 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.276 0.826 19331 3518 1 11 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.346 0.021 19331 3519 1 11 . 1 1 31 31 LEU H H 31 7.853 7.853 7.742 0.111 19331 3520 1 11 . 1 1 32 32 MET N N 32 117.671 117.671 118.475 -0.804 19331 3521 1 11 . 1 1 32 32 MET HA H 32 4.099 4.099 4.231 -0.132 19331 3522 1 11 . 1 1 32 32 MET C C 32 178.927 178.927 178.157 0.770 19331 3523 1 11 . 1 1 32 32 MET CA C 32 59.015 59.015 57.648 1.367 19331 3524 1 11 . 1 1 32 32 MET CB C 32 32.105 32.105 32.132 -0.027 19331 3525 1 11 . 1 1 32 32 MET H H 32 7.974 7.974 7.220 0.754 19331 3526 1 11 . 1 1 33 33 VAL N N 33 119.384 119.384 117.042 2.342 19331 3527 1 11 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.698 -0.156 19331 3528 1 11 . 1 1 33 33 VAL C C 33 179.275 179.275 177.363 1.912 19331 3529 1 11 . 1 1 33 33 VAL CA C 33 66.653 66.653 65.677 0.976 19331 3530 1 11 . 1 1 33 33 VAL CB C 33 31.815 31.815 30.747 1.068 19331 3531 1 11 . 1 1 33 33 VAL H H 33 7.747 7.747 7.399 0.348 19331 3532 1 11 . 1 1 34 34 HIS N N 34 120.938 120.938 118.100 2.838 19331 3533 1 11 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.098 0.122 19331 3534 1 11 . 1 1 34 34 HIS C C 34 178.486 178.486 176.950 1.536 19331 3535 1 11 . 1 1 34 34 HIS CA C 34 59.798 59.798 58.036 1.762 19331 3536 1 11 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.218 -1.182 19331 3537 1 11 . 1 1 34 34 HIS H H 34 8.664 8.664 7.455 1.209 19331 3538 1 11 . 1 1 35 35 LYS N N 35 119.725 119.725 119.666 0.059 19331 3539 1 11 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.195 -0.479 19331 3540 1 11 . 1 1 35 35 LYS C C 35 178.526 178.526 179.148 -0.622 19331 3541 1 11 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.457 1.209 19331 3542 1 11 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.380 -0.952 19331 3543 1 11 . 1 1 35 35 LYS H H 35 9.034 9.034 7.695 1.339 19331 3544 1 11 . 1 1 36 36 ARG N N 36 118.491 118.491 118.452 0.039 19331 3545 1 11 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.171 -0.022 19331 3546 1 11 . 1 1 36 36 ARG C C 36 177.752 177.752 178.952 -1.200 19331 3547 1 11 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.533 -0.426 19331 3548 1 11 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.909 -0.195 19331 3549 1 11 . 1 1 36 36 ARG H H 36 7.458 7.458 7.715 -0.257 19331 3550 1 11 . 1 1 37 37 SER N N 37 113.811 113.811 115.786 -1.975 19331 3551 1 11 . 1 1 37 37 SER HA H 37 4.202 4.202 4.124 0.078 19331 3552 1 11 . 1 1 37 37 SER C C 37 174.576 174.576 175.128 -0.552 19331 3553 1 11 . 1 1 37 37 SER CA C 37 60.412 60.412 61.163 -0.751 19331 3554 1 11 . 1 1 37 37 SER CB C 37 62.129 62.129 62.793 -0.664 19331 3555 1 11 . 1 1 37 37 SER H H 37 7.771 7.771 7.647 0.124 19331 3556 1 11 . 1 1 38 38 HIS N N 38 118.829 118.829 118.411 0.418 19331 3557 1 11 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.854 0.140 19331 3558 1 11 . 1 1 38 38 HIS C C 38 174.977 174.977 177.528 -2.551 19331 3559 1 11 . 1 1 38 38 HIS CA C 38 54.798 54.798 57.431 -2.633 19331 3560 1 11 . 1 1 38 38 HIS CB C 38 28.317 28.317 29.602 -1.285 19331 3561 1 11 . 1 1 38 38 HIS H H 38 7.265 7.265 7.513 -0.248 19331 3562 1 11 . 1 1 39 39 THR N N 39 113.289 113.289 112.963 0.326 19331 3563 1 11 . 1 1 39 39 THR HA H 39 4.353 4.353 4.118 0.235 19331 3564 1 11 . 1 1 39 39 THR C C 39 174.977 174.977 176.279 -1.302 19331 3565 1 11 . 1 1 39 39 THR CA C 39 62.252 62.252 64.870 -2.618 19331 3566 1 11 . 1 1 39 39 THR CB C 39 69.773 69.773 69.278 0.495 19331 3567 1 11 . 1 1 39 39 THR H H 39 7.814 7.814 7.876 -0.062 19331 3568 1 11 . 1 1 40 40 GLY N N 40 110.879 110.879 108.466 2.413 19331 3569 1 11 . 1 1 40 40 GLY C C 40 173.802 173.802 174.835 -1.033 19331 3570 1 11 . 1 1 40 40 GLY CA C 40 45.173 45.173 44.961 0.212 19331 3571 1 11 . 1 1 40 40 GLY H H 40 8.425 8.425 7.496 0.929 19331 3572 1 11 . 1 1 41 41 GLU N N 41 120.081 120.081 123.454 -3.373 19331 3573 1 11 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.365 -0.143 19331 3574 1 11 . 1 1 41 41 GLU C C 41 176.151 176.151 175.188 0.963 19331 3575 1 11 . 1 1 41 41 GLU CA C 41 56.710 56.710 55.544 1.166 19331 3576 1 11 . 1 1 41 41 GLU CB C 41 30.550 30.550 27.981 2.569 19331 3577 1 11 . 1 1 41 41 GLU H H 41 8.127 8.127 7.992 0.135 19331 3578 1 11 . 1 1 42 42 ARG N N 42 121.379 121.379 124.130 -2.751 19331 3579 1 11 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.743 -0.213 19331 3580 1 11 . 1 1 42 42 ARG CA C 42 53.378 53.378 52.935 0.442 19331 3581 1 11 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.379 -0.354 19331 3582 1 11 . 1 1 42 42 ARG H H 42 8.370 8.370 7.596 0.774 19331 3583 1 11 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.297 -0.037 19331 3584 1 11 . 1 1 43 43 PRO C C 43 176.151 176.151 176.173 -0.022 19331 3585 1 11 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.656 0.996 19331 3586 1 11 . 1 1 43 43 PRO CB C 43 32.069 32.069 32.020 0.049 19331 3587 1 11 . 1 1 44 44 PHE N N 44 116.589 116.589 123.683 -7.094 19331 3588 1 11 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.425 0.420 19331 3589 1 11 . 1 1 44 44 PHE C C 44 174.603 174.603 175.733 -1.130 19331 3590 1 11 . 1 1 44 44 PHE CA C 44 57.080 57.080 58.984 -1.904 19331 3591 1 11 . 1 1 44 44 PHE CB C 44 39.654 39.654 39.903 -0.249 19331 3592 1 11 . 1 1 44 44 PHE H H 44 7.659 7.659 8.205 -0.546 19331 3593 1 11 . 1 1 45 45 HIS N N 45 121.791 121.791 123.398 -1.607 19331 3594 1 11 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.178 0.113 19331 3595 1 11 . 1 1 45 45 HIS C C 45 172.655 172.655 174.538 -1.883 19331 3596 1 11 . 1 1 45 45 HIS CA C 45 54.560 54.560 55.012 -0.452 19331 3597 1 11 . 1 1 45 45 HIS CB C 45 31.774 31.774 32.166 -0.392 19331 3598 1 11 . 1 1 45 45 HIS H H 45 9.070 9.070 8.734 0.336 19331 3599 1 11 . 1 1 46 46 CYS N N 46 125.392 125.392 128.344 -2.952 19331 3600 1 11 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.436 0.106 19331 3601 1 11 . 1 1 46 46 CYS C C 46 176.525 176.525 173.557 2.968 19331 3602 1 11 . 1 1 46 46 CYS CA C 46 59.233 59.233 58.671 0.562 19331 3603 1 11 . 1 1 46 46 CYS CB C 46 29.948 29.948 26.810 3.138 19331 3604 1 11 . 1 1 46 46 CYS H H 46 9.189 9.189 8.418 0.771 19331 3605 1 11 . 1 1 47 47 ASN N N 47 128.827 128.827 125.346 3.481 19331 3606 1 11 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.413 0.284 19331 3607 1 11 . 1 1 47 47 ASN C C 47 175.433 175.433 175.168 0.265 19331 3608 1 11 . 1 1 47 47 ASN CA C 47 54.982 54.982 53.977 1.005 19331 3609 1 11 . 1 1 47 47 ASN CB C 47 38.237 38.237 39.363 -1.126 19331 3610 1 11 . 1 1 47 47 ASN H H 47 9.302 9.302 8.424 0.878 19331 3611 1 11 . 1 1 48 48 GLN N N 48 120.952 120.952 119.127 1.825 19331 3612 1 11 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.154 0.153 19331 3613 1 11 . 1 1 48 48 GLN C C 48 176.151 176.151 174.606 1.545 19331 3614 1 11 . 1 1 48 48 GLN CA C 48 57.832 57.832 57.145 0.687 19331 3615 1 11 . 1 1 48 48 GLN CB C 48 29.163 29.163 26.659 2.504 19331 3616 1 11 . 1 1 48 48 GLN H H 48 9.139 9.139 8.651 0.488 19331 3617 1 11 . 1 1 49 49 CYS N N 49 116.176 116.176 116.832 -0.656 19331 3618 1 11 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.771 0.378 19331 3619 1 11 . 1 1 49 49 CYS C C 49 175.430 175.430 174.773 0.657 19331 3620 1 11 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.133 -0.784 19331 3621 1 11 . 1 1 49 49 CYS CB C 49 32.264 32.264 29.988 2.276 19331 3622 1 11 . 1 1 49 49 CYS H H 49 8.117 8.117 8.219 -0.102 19331 3623 1 11 . 1 1 50 50 GLY N N 50 111.724 111.724 110.581 1.143 19331 3624 1 11 . 1 1 50 50 GLY C C 50 173.758 173.758 173.387 0.371 19331 3625 1 11 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.346 0.545 19331 3626 1 11 . 1 1 50 50 GLY H H 50 8.142 8.142 7.946 0.196 19331 3627 1 11 . 1 1 51 51 ALA N N 51 126.041 126.041 122.060 3.981 19331 3628 1 11 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.528 -0.441 19331 3629 1 11 . 1 1 51 51 ALA C C 51 175.350 175.350 174.812 0.538 19331 3630 1 11 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.034 2.471 19331 3631 1 11 . 1 1 51 51 ALA CB C 51 19.611 19.611 21.347 -1.736 19331 3632 1 11 . 1 1 51 51 ALA H H 51 8.420 8.420 7.805 0.615 19331 3633 1 11 . 1 1 52 52 SER N N 52 113.511 113.511 116.258 -2.747 19331 3634 1 11 . 1 1 52 52 SER HA H 52 5.255 5.255 5.480 -0.225 19331 3635 1 11 . 1 1 52 52 SER C C 52 173.002 173.002 173.155 -0.153 19331 3636 1 11 . 1 1 52 52 SER CA C 52 56.680 56.680 56.987 -0.307 19331 3637 1 11 . 1 1 52 52 SER CB C 52 65.958 65.958 65.290 0.668 19331 3638 1 11 . 1 1 52 52 SER H H 52 7.829 7.829 7.798 0.031 19331 3639 1 11 . 1 1 53 53 PHE N N 53 117.376 117.376 124.300 -6.924 19331 3640 1 11 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.750 0.128 19331 3641 1 11 . 1 1 53 53 PHE C C 53 174.977 174.977 176.150 -1.173 19331 3642 1 11 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.714 -0.158 19331 3643 1 11 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.126 1.748 19331 3644 1 11 . 1 1 53 53 PHE H H 53 8.802 8.802 9.055 -0.253 19331 3645 1 11 . 1 1 54 54 THR N N 54 114.290 114.290 116.566 -2.276 19331 3646 1 11 . 1 1 54 54 THR HA H 54 4.553 4.553 4.095 0.458 19331 3647 1 11 . 1 1 54 54 THR C C 54 174.229 174.229 173.891 0.338 19331 3648 1 11 . 1 1 54 54 THR CA C 54 63.789 63.789 63.816 -0.027 19331 3649 1 11 . 1 1 54 54 THR CB C 54 69.491 69.491 69.219 0.272 19331 3650 1 11 . 1 1 54 54 THR H H 54 9.129 9.129 8.579 0.550 19331 3651 1 11 . 1 1 55 55 GLN N N 55 117.684 117.684 119.591 -1.907 19331 3652 1 11 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.753 0.031 19331 3653 1 11 . 1 1 55 55 GLN C C 55 176.124 176.124 176.438 -0.314 19331 3654 1 11 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.812 -0.747 19331 3655 1 11 . 1 1 55 55 GLN CB C 55 31.444 31.444 29.782 1.663 19331 3656 1 11 . 1 1 55 55 GLN H H 55 7.563 7.563 7.981 -0.418 19331 3657 1 11 . 1 1 56 56 LYS N N 56 127.497 127.497 125.202 2.295 19331 3658 1 11 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.555 -0.764 19331 3659 1 11 . 1 1 56 56 LYS C C 56 178.179 178.179 178.126 0.053 19331 3660 1 11 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.444 -0.146 19331 3661 1 11 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.410 0.324 19331 3662 1 11 . 1 1 56 56 LYS H H 56 8.680 8.680 9.041 -0.361 19331 3663 1 11 . 1 1 57 57 GLY N N 57 105.111 105.111 107.390 -2.279 19331 3664 1 11 . 1 1 57 57 GLY C C 57 176.204 176.204 176.340 -0.136 19331 3665 1 11 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.277 -0.207 19331 3666 1 11 . 1 1 57 57 GLY H H 57 8.900 8.900 8.668 0.232 19331 3667 1 11 . 1 1 58 58 ASN N N 58 117.732 117.732 119.849 -2.117 19331 3668 1 11 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.412 0.036 19331 3669 1 11 . 1 1 58 58 ASN C C 58 177.325 177.325 176.905 0.420 19331 3670 1 11 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.377 -0.465 19331 3671 1 11 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.801 -0.339 19331 3672 1 11 . 1 1 58 58 ASN H H 58 6.958 6.958 7.512 -0.554 19331 3673 1 11 . 1 1 59 59 LEU N N 59 123.027 123.027 122.484 0.543 19331 3674 1 11 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.804 -0.678 19331 3675 1 11 . 1 1 59 59 LEU C C 59 177.352 177.352 177.771 -0.419 19331 3676 1 11 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.844 -0.186 19331 3677 1 11 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.926 -2.016 19331 3678 1 11 . 1 1 59 59 LEU H H 59 6.885 6.885 7.437 -0.552 19331 3679 1 11 . 1 1 60 60 LEU N N 60 117.860 117.860 117.878 -0.018 19331 3680 1 11 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.853 0.043 19331 3681 1 11 . 1 1 60 60 LEU C C 60 179.669 179.669 179.180 0.489 19331 3682 1 11 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.683 0.455 19331 3683 1 11 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.252 -0.620 19331 3684 1 11 . 1 1 60 60 LEU H H 60 8.078 8.078 8.256 -0.178 19331 3685 1 11 . 1 1 61 61 ARG N N 61 117.382 117.382 119.282 -1.900 19331 3686 1 11 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.871 0.057 19331 3687 1 11 . 1 1 61 61 ARG C C 61 177.752 177.752 178.120 -0.368 19331 3688 1 11 . 1 1 61 61 ARG CA C 61 59.258 59.258 59.315 -0.057 19331 3689 1 11 . 1 1 61 61 ARG CB C 61 30.346 30.346 30.041 0.305 19331 3690 1 11 . 1 1 61 61 ARG H H 61 7.414 7.414 7.440 -0.026 19331 3691 1 11 . 1 1 62 62 HIS N N 62 119.118 119.118 119.326 -0.208 19331 3692 1 11 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.241 -0.130 19331 3693 1 11 . 1 1 62 62 HIS C C 62 176.978 176.978 177.463 -0.485 19331 3694 1 11 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.651 -0.085 19331 3695 1 11 . 1 1 62 62 HIS CB C 62 28.558 28.558 29.763 -1.205 19331 3696 1 11 . 1 1 62 62 HIS H H 62 7.360 7.360 7.650 -0.290 19331 3697 1 11 . 1 1 63 63 ILE N N 63 116.662 116.662 114.711 1.951 19331 3698 1 11 . 1 1 63 63 ILE HA H 63 3.669 3.669 3.186 0.483 19331 3699 1 11 . 1 1 63 63 ILE C C 63 178.526 178.526 177.301 1.225 19331 3700 1 11 . 1 1 63 63 ILE CA C 63 65.875 65.875 63.737 2.138 19331 3701 1 11 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.785 0.300 19331 3702 1 11 . 1 1 63 63 ILE H H 63 8.500 8.500 8.158 0.342 19331 3703 1 11 . 1 1 64 64 LYS N N 64 119.456 119.456 120.739 -1.283 19331 3704 1 11 . 1 1 64 64 LYS HA H 64 4.068 4.068 3.978 0.090 19331 3705 1 11 . 1 1 64 64 LYS C C 64 178.553 178.553 178.736 -0.183 19331 3706 1 11 . 1 1 64 64 LYS CA C 64 58.667 58.667 58.762 -0.095 19331 3707 1 11 . 1 1 64 64 LYS CB C 64 32.004 32.004 31.691 0.313 19331 3708 1 11 . 1 1 64 64 LYS H H 64 7.174 7.174 7.296 -0.122 19331 3709 1 11 . 1 1 65 65 LEU N N 65 118.539 118.539 116.909 1.630 19331 3710 1 11 . 1 1 65 65 LEU HA H 65 4.064 4.064 3.989 0.075 19331 3711 1 11 . 1 1 65 65 LEU C C 65 178.980 178.980 179.226 -0.246 19331 3712 1 11 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.715 -1.108 19331 3713 1 11 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.934 -0.957 19331 3714 1 11 . 1 1 65 65 LEU H H 65 7.744 7.744 7.477 0.267 19331 3715 1 11 . 1 1 66 66 HIS N N 66 115.422 115.422 112.320 3.102 19331 3716 1 11 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.570 0.163 19331 3717 1 11 . 1 1 66 66 HIS C C 66 175.671 175.671 174.383 1.288 19331 3718 1 11 . 1 1 66 66 HIS CA C 66 56.128 56.128 54.767 1.361 19331 3719 1 11 . 1 1 66 66 HIS CB C 66 28.573 28.573 29.537 -0.964 19331 3720 1 11 . 1 1 66 66 HIS H H 66 7.357 7.357 7.309 0.048 19331 3721 1 11 . 1 1 67 67 SER N N 67 115.047 115.047 113.591 1.456 19331 3722 1 11 . 1 1 67 67 SER HA H 67 4.459 4.459 4.186 0.273 19331 3723 1 11 . 1 1 67 67 SER C C 67 175.003 175.003 174.716 0.287 19331 3724 1 11 . 1 1 67 67 SER CA C 67 59.246 59.246 59.167 0.079 19331 3725 1 11 . 1 1 67 67 SER CB C 67 63.693 63.693 62.021 1.672 19331 3726 1 11 . 1 1 67 67 SER H H 67 7.859 7.859 7.106 0.753 19331 3727 1 11 . 1 1 68 68 GLY N N 68 110.437 110.437 111.008 -0.571 19331 3728 1 11 . 1 1 68 68 GLY C C 68 173.812 173.812 174.176 -0.364 19331 3729 1 11 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.715 -0.408 19331 3730 1 11 . 1 1 68 68 GLY H H 68 8.281 8.281 8.154 0.127 19331 3731 1 11 . 1 1 69 69 GLU N N 69 120.321 120.321 119.450 0.871 19331 3732 1 11 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.516 -0.236 19331 3733 1 11 . 1 1 69 69 GLU C C 69 176.124 176.124 175.164 0.960 19331 3734 1 11 . 1 1 69 69 GLU CA C 69 56.393 56.393 55.887 0.506 19331 3735 1 11 . 1 1 69 69 GLU CB C 69 30.396 30.396 27.945 2.451 19331 3736 1 11 . 1 1 69 69 GLU H H 69 8.069 8.069 8.438 -0.369 19331 3737 1 11 . 1 1 70 70 LYS N N 70 123.278 123.278 121.216 2.062 19331 3738 1 11 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.703 -0.109 19331 3739 1 11 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.241 0.824 19331 3740 1 11 . 1 1 70 70 LYS CB C 70 32.557 32.557 32.733 -0.176 19331 3741 1 11 . 1 1 70 70 LYS H H 70 8.349 8.349 7.981 0.368 19331 3742 1 11 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.396 -0.005 19331 3743 1 11 . 1 1 71 71 PRO C C 71 176.178 176.178 175.613 0.565 19331 3744 1 11 . 1 1 71 71 PRO CA C 71 63.143 63.143 63.102 0.041 19331 3745 1 11 . 1 1 71 71 PRO CB C 71 31.837 31.837 30.731 1.106 19331 3746 1 11 . 1 1 72 72 PHE N N 72 120.324 120.324 126.981 -6.657 19331 3747 1 11 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.356 0.250 19331 3748 1 11 . 1 1 72 72 PHE C C 72 174.546 174.546 175.767 -1.221 19331 3749 1 11 . 1 1 72 72 PHE CA C 72 57.543 57.543 58.575 -1.032 19331 3750 1 11 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.626 -0.125 19331 3751 1 11 . 1 1 72 72 PHE H H 72 8.177 8.177 8.188 -0.011 19331 3752 1 12 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.570 -0.310 19331 3753 1 12 . 1 1 12 12 PRO C C 12 175.377 175.377 175.762 -0.385 19331 3754 1 12 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.735 0.650 19331 3755 1 12 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.448 -0.379 19331 3756 1 12 . 1 1 13 13 ASN N N 13 123.885 123.885 118.453 5.432 19331 3757 1 12 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.777 -0.313 19331 3758 1 12 . 1 1 13 13 ASN C C 13 176.178 176.178 174.589 1.589 19331 3759 1 12 . 1 1 13 13 ASN CA C 13 54.834 54.834 53.316 1.518 19331 3760 1 12 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.683 1.322 19331 3761 1 12 . 1 1 13 13 ASN H H 13 8.001 8.001 8.469 -0.468 19331 3762 1 12 . 1 1 14 14 GLY N N 14 113.831 113.831 110.094 3.737 19331 3763 1 12 . 1 1 14 14 GLY C C 14 174.152 174.152 173.161 0.991 19331 3764 1 12 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.480 -0.115 19331 3765 1 12 . 1 1 14 14 GLY H H 14 8.367 8.367 8.356 0.011 19331 3766 1 12 . 1 1 15 15 LYS N N 15 119.903 119.903 123.029 -3.126 19331 3767 1 12 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.490 -0.193 19331 3768 1 12 . 1 1 15 15 LYS C C 15 176.217 176.217 176.078 0.139 19331 3769 1 12 . 1 1 15 15 LYS CA C 15 56.921 56.921 56.591 0.330 19331 3770 1 12 . 1 1 15 15 LYS CB C 15 32.804 32.804 33.054 -0.250 19331 3771 1 12 . 1 1 15 15 LYS H H 15 8.200 8.200 8.319 -0.119 19331 3772 1 12 . 1 1 16 16 LEU N N 16 122.670 122.670 121.946 0.724 19331 3773 1 12 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.943 -0.489 19331 3774 1 12 . 1 1 16 16 LEU C C 16 173.805 173.805 175.365 -1.560 19331 3775 1 12 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.009 1.071 19331 3776 1 12 . 1 1 16 16 LEU CB C 16 41.852 41.852 43.895 -2.043 19331 3777 1 12 . 1 1 16 16 LEU H H 16 8.394 8.394 8.162 0.232 19331 3778 1 12 . 1 1 17 17 LYS N N 17 120.445 120.445 117.972 2.473 19331 3779 1 12 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.419 0.458 19331 3780 1 12 . 1 1 17 17 LYS C C 17 175.777 175.777 175.000 0.777 19331 3781 1 12 . 1 1 17 17 LYS CA C 17 54.489 54.489 56.007 -1.518 19331 3782 1 12 . 1 1 17 17 LYS CB C 17 35.154 35.154 32.413 2.740 19331 3783 1 12 . 1 1 17 17 LYS H H 17 8.026 8.026 8.535 -0.509 19331 3784 1 12 . 1 1 18 18 CYS N N 18 127.176 127.176 121.197 5.979 19331 3785 1 12 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.409 -0.182 19331 3786 1 12 . 1 1 18 18 CYS C C 18 176.551 176.551 174.648 1.903 19331 3787 1 12 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.898 1.779 19331 3788 1 12 . 1 1 18 18 CYS CB C 18 29.821 29.821 26.698 3.123 19331 3789 1 12 . 1 1 18 18 CYS H H 18 9.071 9.071 8.159 0.912 19331 3790 1 12 . 1 1 19 19 ASP N N 19 130.419 130.419 125.846 4.573 19331 3791 1 12 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.749 -0.385 19331 3792 1 12 . 1 1 19 19 ASP C C 19 175.433 175.433 174.720 0.713 19331 3793 1 12 . 1 1 19 19 ASP CA C 19 55.671 55.671 53.599 2.072 19331 3794 1 12 . 1 1 19 19 ASP CB C 19 39.613 39.613 42.195 -2.582 19331 3795 1 12 . 1 1 19 19 ASP H H 19 9.137 9.137 8.525 0.612 19331 3796 1 12 . 1 1 20 20 VAL N N 20 123.067 123.067 117.806 5.261 19331 3797 1 12 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.580 -0.758 19331 3798 1 12 . 1 1 20 20 VAL C C 20 177.009 177.009 175.873 1.136 19331 3799 1 12 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.368 3.994 19331 3800 1 12 . 1 1 20 20 VAL CB C 20 32.970 32.970 33.708 -0.738 19331 3801 1 12 . 1 1 20 20 VAL H H 20 9.022 9.022 8.147 0.875 19331 3802 1 12 . 1 1 21 21 CYS N N 21 115.484 115.484 123.854 -8.370 19331 3803 1 12 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.665 0.450 19331 3804 1 12 . 1 1 21 21 CYS C C 21 176.178 176.178 175.081 1.097 19331 3805 1 12 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.399 -0.332 19331 3806 1 12 . 1 1 21 21 CYS CB C 21 33.096 33.096 28.846 4.250 19331 3807 1 12 . 1 1 21 21 CYS H H 21 8.092 8.092 8.461 -0.369 19331 3808 1 12 . 1 1 22 22 GLY N N 22 113.222 113.222 110.303 2.919 19331 3809 1 12 . 1 1 22 22 GLY C C 22 173.028 173.028 173.408 -0.380 19331 3810 1 12 . 1 1 22 22 GLY CA C 22 45.741 45.741 45.038 0.703 19331 3811 1 12 . 1 1 22 22 GLY H H 22 7.931 7.931 8.501 -0.570 19331 3812 1 12 . 1 1 23 23 MET N N 23 122.930 122.930 121.296 1.634 19331 3813 1 12 . 1 1 23 23 MET HA H 23 4.075 4.075 4.430 -0.355 19331 3814 1 12 . 1 1 23 23 MET C C 23 174.950 174.950 175.776 -0.826 19331 3815 1 12 . 1 1 23 23 MET CA C 23 57.226 57.226 55.911 1.315 19331 3816 1 12 . 1 1 23 23 MET CB C 23 33.750 33.750 32.298 1.452 19331 3817 1 12 . 1 1 23 23 MET H H 23 8.276 8.276 8.190 0.086 19331 3818 1 12 . 1 1 24 24 VAL N N 24 126.800 126.800 126.685 0.115 19331 3819 1 12 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.387 -0.057 19331 3820 1 12 . 1 1 24 24 VAL C C 24 176.124 176.124 174.250 1.874 19331 3821 1 12 . 1 1 24 24 VAL CA C 24 62.581 62.581 62.272 0.309 19331 3822 1 12 . 1 1 24 24 VAL CB C 24 31.843 31.843 33.605 -1.762 19331 3823 1 12 . 1 1 24 24 VAL H H 24 8.466 8.466 8.431 0.035 19331 3824 1 12 . 1 1 25 25 CYS N N 25 125.377 125.377 127.568 -2.191 19331 3825 1 12 . 1 1 25 25 CYS HA H 25 4.729 4.729 5.136 -0.407 19331 3826 1 12 . 1 1 25 25 CYS C C 25 173.829 173.829 173.463 0.366 19331 3827 1 12 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.482 -0.972 19331 3828 1 12 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.991 2.658 19331 3829 1 12 . 1 1 25 25 CYS H H 25 8.720 8.720 8.621 0.099 19331 3830 1 12 . 1 1 26 26 ILE N N 26 119.435 119.435 125.023 -5.588 19331 3831 1 12 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.312 -0.142 19331 3832 1 12 . 1 1 26 26 ILE C C 26 175.334 175.334 175.287 0.047 19331 3833 1 12 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.427 0.519 19331 3834 1 12 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.512 -1.642 19331 3835 1 12 . 1 1 26 26 ILE H H 26 8.407 8.407 8.458 -0.051 19331 3836 1 12 . 1 1 27 27 GLY N N 27 109.455 109.455 114.446 -4.991 19331 3837 1 12 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.386 0.212 19331 3838 1 12 . 1 1 27 27 GLY H H 27 7.444 7.444 8.398 -0.954 19331 3839 1 12 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.410 -0.230 19331 3840 1 12 . 1 1 28 28 PRO C C 28 178.526 178.526 176.176 2.350 19331 3841 1 12 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.289 2.725 19331 3842 1 12 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.693 -0.945 19331 3843 1 12 . 1 1 29 29 ASN N N 29 118.871 118.871 116.875 1.996 19331 3844 1 12 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.793 -0.219 19331 3845 1 12 . 1 1 29 29 ASN C C 29 176.925 176.925 176.173 0.752 19331 3846 1 12 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.706 3.748 19331 3847 1 12 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.846 -0.365 19331 3848 1 12 . 1 1 29 29 ASN H H 29 8.722 8.722 8.490 0.232 19331 3849 1 12 . 1 1 30 30 VAL N N 30 120.904 120.904 118.043 2.861 19331 3850 1 12 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.806 -0.089 19331 3851 1 12 . 1 1 30 30 VAL C C 30 178.526 178.526 177.085 1.441 19331 3852 1 12 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.841 1.040 19331 3853 1 12 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.487 0.353 19331 3854 1 12 . 1 1 30 30 VAL H H 30 7.475 7.475 7.843 -0.368 19331 3855 1 12 . 1 1 31 31 LEU N N 31 120.665 120.665 120.109 0.556 19331 3856 1 12 . 1 1 31 31 LEU HA H 31 4.467 4.467 3.909 0.558 19331 3857 1 12 . 1 1 31 31 LEU C C 31 177.379 177.379 178.244 -0.865 19331 3858 1 12 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.846 0.256 19331 3859 1 12 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.864 -0.497 19331 3860 1 12 . 1 1 31 31 LEU H H 31 7.853 7.853 7.795 0.058 19331 3861 1 12 . 1 1 32 32 MET N N 32 117.671 117.671 117.269 0.402 19331 3862 1 12 . 1 1 32 32 MET HA H 32 4.099 4.099 4.103 -0.004 19331 3863 1 12 . 1 1 32 32 MET C C 32 178.927 178.927 178.540 0.387 19331 3864 1 12 . 1 1 32 32 MET CA C 32 59.015 59.015 59.223 -0.208 19331 3865 1 12 . 1 1 32 32 MET CB C 32 32.105 32.105 32.413 -0.308 19331 3866 1 12 . 1 1 32 32 MET H H 32 7.974 7.974 7.504 0.470 19331 3867 1 12 . 1 1 33 33 VAL N N 33 119.384 119.384 118.571 0.813 19331 3868 1 12 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.636 -0.094 19331 3869 1 12 . 1 1 33 33 VAL C C 33 179.275 179.275 178.157 1.118 19331 3870 1 12 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.180 0.473 19331 3871 1 12 . 1 1 33 33 VAL CB C 33 31.815 31.815 30.729 1.086 19331 3872 1 12 . 1 1 33 33 VAL H H 33 7.747 7.747 7.699 0.048 19331 3873 1 12 . 1 1 34 34 HIS N N 34 120.938 120.938 119.828 1.110 19331 3874 1 12 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.271 -0.051 19331 3875 1 12 . 1 1 34 34 HIS C C 34 178.486 178.486 177.895 0.591 19331 3876 1 12 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.734 0.063 19331 3877 1 12 . 1 1 34 34 HIS CB C 34 28.036 28.036 30.093 -2.057 19331 3878 1 12 . 1 1 34 34 HIS H H 34 8.664 8.664 8.361 0.303 19331 3879 1 12 . 1 1 35 35 LYS N N 35 119.725 119.725 118.450 1.275 19331 3880 1 12 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.143 -0.427 19331 3881 1 12 . 1 1 35 35 LYS C C 35 178.526 178.526 179.359 -0.833 19331 3882 1 12 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.385 1.281 19331 3883 1 12 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.488 -1.060 19331 3884 1 12 . 1 1 35 35 LYS H H 35 9.034 9.034 8.086 0.948 19331 3885 1 12 . 1 1 36 36 ARG N N 36 118.491 118.491 119.751 -1.260 19331 3886 1 12 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.182 -0.033 19331 3887 1 12 . 1 1 36 36 ARG C C 36 177.752 177.752 178.302 -0.550 19331 3888 1 12 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.465 -0.358 19331 3889 1 12 . 1 1 36 36 ARG CB C 36 29.714 29.714 30.082 -0.368 19331 3890 1 12 . 1 1 36 36 ARG H H 36 7.458 7.458 8.054 -0.596 19331 3891 1 12 . 1 1 37 37 SER N N 37 113.811 113.811 114.062 -0.251 19331 3892 1 12 . 1 1 37 37 SER HA H 37 4.202 4.202 4.210 -0.008 19331 3893 1 12 . 1 1 37 37 SER C C 37 174.576 174.576 175.335 -0.759 19331 3894 1 12 . 1 1 37 37 SER CA C 37 60.412 60.412 61.536 -1.124 19331 3895 1 12 . 1 1 37 37 SER CB C 37 62.129 62.129 62.755 -0.626 19331 3896 1 12 . 1 1 37 37 SER H H 37 7.771 7.771 7.913 -0.142 19331 3897 1 12 . 1 1 38 38 HIS N N 38 118.829 118.829 117.788 1.041 19331 3898 1 12 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.529 0.465 19331 3899 1 12 . 1 1 38 38 HIS C C 38 174.977 174.977 175.937 -0.960 19331 3900 1 12 . 1 1 38 38 HIS CA C 38 54.798 54.798 56.793 -1.995 19331 3901 1 12 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.540 -2.223 19331 3902 1 12 . 1 1 38 38 HIS H H 38 7.265 7.265 7.574 -0.309 19331 3903 1 12 . 1 1 39 39 THR N N 39 113.289 113.289 111.654 1.635 19331 3904 1 12 . 1 1 39 39 THR HA H 39 4.353 4.353 4.362 -0.009 19331 3905 1 12 . 1 1 39 39 THR C C 39 174.977 174.977 175.377 -0.400 19331 3906 1 12 . 1 1 39 39 THR CA C 39 62.252 62.252 61.432 0.820 19331 3907 1 12 . 1 1 39 39 THR CB C 39 69.773 69.773 69.204 0.569 19331 3908 1 12 . 1 1 39 39 THR H H 39 7.814 7.814 7.381 0.433 19331 3909 1 12 . 1 1 40 40 GLY N N 40 110.879 110.879 111.635 -0.756 19331 3910 1 12 . 1 1 40 40 GLY C C 40 173.802 173.802 174.060 -0.258 19331 3911 1 12 . 1 1 40 40 GLY CA C 40 45.173 45.173 44.382 0.791 19331 3912 1 12 . 1 1 40 40 GLY H H 40 8.425 8.425 7.679 0.746 19331 3913 1 12 . 1 1 41 41 GLU N N 41 120.081 120.081 120.126 -0.045 19331 3914 1 12 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.339 -0.117 19331 3915 1 12 . 1 1 41 41 GLU C C 41 176.151 176.151 176.084 0.067 19331 3916 1 12 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.053 0.657 19331 3917 1 12 . 1 1 41 41 GLU CB C 41 30.550 30.550 30.393 0.157 19331 3918 1 12 . 1 1 41 41 GLU H H 41 8.127 8.127 8.463 -0.336 19331 3919 1 12 . 1 1 42 42 ARG N N 42 121.379 121.379 121.297 0.082 19331 3920 1 12 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.247 0.283 19331 3921 1 12 . 1 1 42 42 ARG CA C 42 53.378 53.378 54.967 -1.589 19331 3922 1 12 . 1 1 42 42 ARG CB C 42 30.025 30.025 29.162 0.863 19331 3923 1 12 . 1 1 42 42 ARG H H 42 8.370 8.370 8.373 -0.003 19331 3924 1 12 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.525 -0.265 19331 3925 1 12 . 1 1 43 43 PRO C C 43 176.151 176.151 176.139 0.012 19331 3926 1 12 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.663 0.989 19331 3927 1 12 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.803 0.266 19331 3928 1 12 . 1 1 44 44 PHE N N 44 116.589 116.589 124.519 -7.930 19331 3929 1 12 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.209 0.636 19331 3930 1 12 . 1 1 44 44 PHE C C 44 174.603 174.603 175.244 -0.641 19331 3931 1 12 . 1 1 44 44 PHE CA C 44 57.080 57.080 59.415 -2.335 19331 3932 1 12 . 1 1 44 44 PHE CB C 44 39.654 39.654 39.450 0.204 19331 3933 1 12 . 1 1 44 44 PHE H H 44 7.659 7.659 8.504 -0.845 19331 3934 1 12 . 1 1 45 45 HIS N N 45 121.791 121.791 119.930 1.861 19331 3935 1 12 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.312 -0.021 19331 3936 1 12 . 1 1 45 45 HIS C C 45 172.655 172.655 174.562 -1.907 19331 3937 1 12 . 1 1 45 45 HIS CA C 45 54.560 54.560 54.257 0.303 19331 3938 1 12 . 1 1 45 45 HIS CB C 45 31.774 31.774 32.147 -0.373 19331 3939 1 12 . 1 1 45 45 HIS H H 45 9.070 9.070 8.240 0.830 19331 3940 1 12 . 1 1 46 46 CYS N N 46 125.392 125.392 121.114 4.278 19331 3941 1 12 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.503 0.039 19331 3942 1 12 . 1 1 46 46 CYS C C 46 176.525 176.525 176.037 0.488 19331 3943 1 12 . 1 1 46 46 CYS CA C 46 59.233 59.233 60.690 -1.456 19331 3944 1 12 . 1 1 46 46 CYS CB C 46 29.948 29.948 27.375 2.572 19331 3945 1 12 . 1 1 46 46 CYS H H 46 9.189 9.189 8.639 0.550 19331 3946 1 12 . 1 1 47 47 ASN N N 47 128.827 128.827 116.678 12.149 19331 3947 1 12 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.528 0.169 19331 3948 1 12 . 1 1 47 47 ASN C C 47 175.433 175.433 175.690 -0.257 19331 3949 1 12 . 1 1 47 47 ASN CA C 47 54.982 54.982 55.908 -0.926 19331 3950 1 12 . 1 1 47 47 ASN CB C 47 38.237 38.237 36.877 1.360 19331 3951 1 12 . 1 1 47 47 ASN H H 47 9.302 9.302 9.031 0.271 19331 3952 1 12 . 1 1 48 48 GLN N N 48 120.952 120.952 120.710 0.242 19331 3953 1 12 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.303 0.004 19331 3954 1 12 . 1 1 48 48 GLN C C 48 176.151 176.151 176.328 -0.177 19331 3955 1 12 . 1 1 48 48 GLN CA C 48 57.832 57.832 57.206 0.626 19331 3956 1 12 . 1 1 48 48 GLN CB C 48 29.163 29.163 29.289 -0.126 19331 3957 1 12 . 1 1 48 48 GLN H H 48 9.139 9.139 8.371 0.768 19331 3958 1 12 . 1 1 49 49 CYS N N 49 116.176 116.176 116.801 -0.625 19331 3959 1 12 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.991 0.158 19331 3960 1 12 . 1 1 49 49 CYS C C 49 175.430 175.430 175.486 -0.056 19331 3961 1 12 . 1 1 49 49 CYS CA C 49 58.349 58.349 55.811 2.538 19331 3962 1 12 . 1 1 49 49 CYS CB C 49 32.264 32.264 30.301 1.963 19331 3963 1 12 . 1 1 49 49 CYS H H 49 8.117 8.117 8.116 0.001 19331 3964 1 12 . 1 1 50 50 GLY N N 50 111.724 111.724 109.220 2.504 19331 3965 1 12 . 1 1 50 50 GLY C C 50 173.758 173.758 173.440 0.318 19331 3966 1 12 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.009 0.882 19331 3967 1 12 . 1 1 50 50 GLY H H 50 8.142 8.142 8.575 -0.432 19331 3968 1 12 . 1 1 51 51 ALA N N 51 126.041 126.041 129.189 -3.148 19331 3969 1 12 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.549 -0.462 19331 3970 1 12 . 1 1 51 51 ALA C C 51 175.350 175.350 175.740 -0.390 19331 3971 1 12 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.243 2.262 19331 3972 1 12 . 1 1 51 51 ALA CB C 51 19.611 19.611 20.519 -0.908 19331 3973 1 12 . 1 1 51 51 ALA H H 51 8.420 8.420 7.495 0.925 19331 3974 1 12 . 1 1 52 52 SER N N 52 113.511 113.511 118.686 -5.175 19331 3975 1 12 . 1 1 52 52 SER HA H 52 5.255 5.255 4.593 0.662 19331 3976 1 12 . 1 1 52 52 SER C C 52 173.002 173.002 173.502 -0.500 19331 3977 1 12 . 1 1 52 52 SER CA C 52 56.680 56.680 57.693 -1.013 19331 3978 1 12 . 1 1 52 52 SER CB C 52 65.958 65.958 63.228 2.730 19331 3979 1 12 . 1 1 52 52 SER H H 52 7.829 7.829 8.131 -0.302 19331 3980 1 12 . 1 1 53 53 PHE N N 53 117.376 117.376 125.541 -8.165 19331 3981 1 12 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.800 0.078 19331 3982 1 12 . 1 1 53 53 PHE C C 53 174.977 174.977 175.900 -0.923 19331 3983 1 12 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.130 0.426 19331 3984 1 12 . 1 1 53 53 PHE CB C 53 43.874 43.874 40.657 3.216 19331 3985 1 12 . 1 1 53 53 PHE H H 53 8.802 8.802 8.706 0.096 19331 3986 1 12 . 1 1 54 54 THR N N 54 114.290 114.290 112.337 1.953 19331 3987 1 12 . 1 1 54 54 THR HA H 54 4.553 4.553 4.614 -0.061 19331 3988 1 12 . 1 1 54 54 THR C C 54 174.229 174.229 173.752 0.477 19331 3989 1 12 . 1 1 54 54 THR CA C 54 63.789 63.789 62.006 1.783 19331 3990 1 12 . 1 1 54 54 THR CB C 54 69.491 69.491 69.747 -0.256 19331 3991 1 12 . 1 1 54 54 THR H H 54 9.129 9.129 8.433 0.696 19331 3992 1 12 . 1 1 55 55 GLN N N 55 117.684 117.684 120.855 -3.171 19331 3993 1 12 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.551 0.233 19331 3994 1 12 . 1 1 55 55 GLN C C 55 176.124 176.124 175.763 0.361 19331 3995 1 12 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.847 -0.782 19331 3996 1 12 . 1 1 55 55 GLN CB C 55 31.444 31.444 30.379 1.065 19331 3997 1 12 . 1 1 55 55 GLN H H 55 7.563 7.563 7.923 -0.360 19331 3998 1 12 . 1 1 56 56 LYS N N 56 127.497 127.497 124.327 3.170 19331 3999 1 12 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.101 -0.310 19331 4000 1 12 . 1 1 56 56 LYS C C 56 178.179 178.179 178.208 -0.029 19331 4001 1 12 . 1 1 56 56 LYS CA C 56 59.297 59.297 58.380 0.917 19331 4002 1 12 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.743 -0.009 19331 4003 1 12 . 1 1 56 56 LYS H H 56 8.680 8.680 8.506 0.174 19331 4004 1 12 . 1 1 57 57 GLY N N 57 105.111 105.111 106.257 -1.146 19331 4005 1 12 . 1 1 57 57 GLY C C 57 176.204 176.204 175.982 0.222 19331 4006 1 12 . 1 1 57 57 GLY CA C 57 47.070 47.070 46.986 0.084 19331 4007 1 12 . 1 1 57 57 GLY H H 57 8.900 8.900 8.455 0.445 19331 4008 1 12 . 1 1 58 58 ASN N N 58 117.732 117.732 119.111 -1.379 19331 4009 1 12 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.429 0.019 19331 4010 1 12 . 1 1 58 58 ASN C C 58 177.325 177.325 176.752 0.573 19331 4011 1 12 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.377 -0.465 19331 4012 1 12 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.685 -0.223 19331 4013 1 12 . 1 1 58 58 ASN H H 58 6.958 6.958 8.411 -1.453 19331 4014 1 12 . 1 1 59 59 LEU N N 59 123.027 123.027 121.666 1.361 19331 4015 1 12 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.758 -0.632 19331 4016 1 12 . 1 1 59 59 LEU C C 59 177.352 177.352 177.636 -0.284 19331 4017 1 12 . 1 1 59 59 LEU CA C 59 57.659 57.659 56.844 0.815 19331 4018 1 12 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.743 -1.833 19331 4019 1 12 . 1 1 59 59 LEU H H 59 6.885 6.885 7.201 -0.316 19331 4020 1 12 . 1 1 60 60 LEU N N 60 117.860 117.860 119.064 -1.204 19331 4021 1 12 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.778 0.118 19331 4022 1 12 . 1 1 60 60 LEU C C 60 179.669 179.669 179.014 0.655 19331 4023 1 12 . 1 1 60 60 LEU CA C 60 58.138 58.138 58.082 0.056 19331 4024 1 12 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.492 -0.860 19331 4025 1 12 . 1 1 60 60 LEU H H 60 8.078 8.078 8.193 -0.115 19331 4026 1 12 . 1 1 61 61 ARG N N 61 117.382 117.382 116.750 0.632 19331 4027 1 12 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.992 -0.064 19331 4028 1 12 . 1 1 61 61 ARG C C 61 177.752 177.752 178.207 -0.455 19331 4029 1 12 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.191 1.067 19331 4030 1 12 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.234 1.112 19331 4031 1 12 . 1 1 61 61 ARG H H 61 7.414 7.414 7.838 -0.424 19331 4032 1 12 . 1 1 62 62 HIS N N 62 119.118 119.118 119.757 -0.639 19331 4033 1 12 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.415 -0.304 19331 4034 1 12 . 1 1 62 62 HIS C C 62 176.978 176.978 177.896 -0.918 19331 4035 1 12 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.255 0.311 19331 4036 1 12 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.205 -1.647 19331 4037 1 12 . 1 1 62 62 HIS H H 62 7.360 7.360 7.412 -0.052 19331 4038 1 12 . 1 1 63 63 ILE N N 63 116.662 116.662 116.203 0.459 19331 4039 1 12 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.135 -0.466 19331 4040 1 12 . 1 1 63 63 ILE C C 63 178.526 178.526 177.328 1.198 19331 4041 1 12 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.480 1.395 19331 4042 1 12 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.487 0.598 19331 4043 1 12 . 1 1 63 63 ILE H H 63 8.500 8.500 8.249 0.251 19331 4044 1 12 . 1 1 64 64 LYS N N 64 119.456 119.456 120.773 -1.317 19331 4045 1 12 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.082 -0.014 19331 4046 1 12 . 1 1 64 64 LYS C C 64 178.553 178.553 179.299 -0.746 19331 4047 1 12 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.045 -0.378 19331 4048 1 12 . 1 1 64 64 LYS CB C 64 32.004 32.004 31.941 0.063 19331 4049 1 12 . 1 1 64 64 LYS H H 64 7.174 7.174 7.729 -0.555 19331 4050 1 12 . 1 1 65 65 LEU N N 65 118.539 118.539 116.615 1.924 19331 4051 1 12 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.041 0.023 19331 4052 1 12 . 1 1 65 65 LEU C C 65 178.980 178.980 177.338 1.642 19331 4053 1 12 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.200 0.407 19331 4054 1 12 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.501 -0.524 19331 4055 1 12 . 1 1 65 65 LEU H H 65 7.744 7.744 7.367 0.377 19331 4056 1 12 . 1 1 66 66 HIS N N 66 115.422 115.422 114.611 0.811 19331 4057 1 12 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.618 0.115 19331 4058 1 12 . 1 1 66 66 HIS C C 66 175.671 175.671 175.332 0.339 19331 4059 1 12 . 1 1 66 66 HIS CA C 66 56.128 56.128 56.657 -0.529 19331 4060 1 12 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.494 -1.921 19331 4061 1 12 . 1 1 66 66 HIS H H 66 7.357 7.357 7.427 -0.070 19331 4062 1 12 . 1 1 67 67 SER N N 67 115.047 115.047 116.232 -1.185 19331 4063 1 12 . 1 1 67 67 SER HA H 67 4.459 4.459 4.545 -0.086 19331 4064 1 12 . 1 1 67 67 SER C C 67 175.003 175.003 175.289 -0.286 19331 4065 1 12 . 1 1 67 67 SER CA C 67 59.246 59.246 58.046 1.200 19331 4066 1 12 . 1 1 67 67 SER CB C 67 63.693 63.693 63.414 0.279 19331 4067 1 12 . 1 1 67 67 SER H H 67 7.859 7.859 7.456 0.403 19331 4068 1 12 . 1 1 68 68 GLY N N 68 110.437 110.437 113.372 -2.935 19331 4069 1 12 . 1 1 68 68 GLY C C 68 173.812 173.812 174.963 -1.151 19331 4070 1 12 . 1 1 68 68 GLY CA C 68 45.307 45.307 46.219 -0.912 19331 4071 1 12 . 1 1 68 68 GLY H H 68 8.281 8.281 8.665 -0.384 19331 4072 1 12 . 1 1 69 69 GLU N N 69 120.321 120.321 121.395 -1.074 19331 4073 1 12 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.687 -0.407 19331 4074 1 12 . 1 1 69 69 GLU C C 69 176.124 176.124 175.331 0.793 19331 4075 1 12 . 1 1 69 69 GLU CA C 69 56.393 56.393 55.703 0.691 19331 4076 1 12 . 1 1 69 69 GLU CB C 69 30.396 30.396 31.187 -0.791 19331 4077 1 12 . 1 1 69 69 GLU H H 69 8.069 8.069 8.145 -0.076 19331 4078 1 12 . 1 1 70 70 LYS N N 70 123.278 123.278 121.775 1.503 19331 4079 1 12 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.698 -0.104 19331 4080 1 12 . 1 1 70 70 LYS CA C 70 54.065 54.065 54.252 -0.187 19331 4081 1 12 . 1 1 70 70 LYS CB C 70 32.557 32.557 32.938 -0.381 19331 4082 1 12 . 1 1 70 70 LYS H H 70 8.349 8.349 8.337 0.012 19331 4083 1 12 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.661 -0.270 19331 4084 1 12 . 1 1 71 71 PRO C C 71 176.178 176.178 175.845 0.333 19331 4085 1 12 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.934 0.209 19331 4086 1 12 . 1 1 71 71 PRO CB C 71 31.837 31.837 31.563 0.274 19331 4087 1 12 . 1 1 72 72 PHE N N 72 120.324 120.324 125.646 -5.322 19331 4088 1 12 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.448 0.158 19331 4089 1 12 . 1 1 72 72 PHE C C 72 174.546 174.546 175.501 -0.955 19331 4090 1 12 . 1 1 72 72 PHE CA C 72 57.543 57.543 57.540 0.003 19331 4091 1 12 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.618 -0.117 19331 4092 1 12 . 1 1 72 72 PHE H H 72 8.177 8.177 8.602 -0.425 19331 4093 1 13 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.696 -0.436 19331 4094 1 13 . 1 1 12 12 PRO C C 12 175.377 175.377 176.305 -0.928 19331 4095 1 13 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.677 0.708 19331 4096 1 13 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.798 -0.729 19331 4097 1 13 . 1 1 13 13 ASN N N 13 123.885 123.885 122.893 0.992 19331 4098 1 13 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.734 -0.270 19331 4099 1 13 . 1 1 13 13 ASN C C 13 176.178 176.178 176.111 0.067 19331 4100 1 13 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.915 1.919 19331 4101 1 13 . 1 1 13 13 ASN CB C 13 41.005 41.005 38.235 2.770 19331 4102 1 13 . 1 1 13 13 ASN H H 13 8.001 8.001 8.748 -0.747 19331 4103 1 13 . 1 1 14 14 GLY N N 14 113.831 113.831 110.744 3.087 19331 4104 1 13 . 1 1 14 14 GLY C C 14 174.152 174.152 173.828 0.324 19331 4105 1 13 . 1 1 14 14 GLY CA C 14 45.365 45.365 44.853 0.512 19331 4106 1 13 . 1 1 14 14 GLY H H 14 8.367 8.367 8.139 0.228 19331 4107 1 13 . 1 1 15 15 LYS N N 15 119.903 119.903 126.027 -6.124 19331 4108 1 13 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.404 -0.107 19331 4109 1 13 . 1 1 15 15 LYS C C 15 176.217 176.217 175.633 0.584 19331 4110 1 13 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.590 1.331 19331 4111 1 13 . 1 1 15 15 LYS CB C 15 32.804 32.804 32.267 0.537 19331 4112 1 13 . 1 1 15 15 LYS H H 15 8.200 8.200 7.941 0.259 19331 4113 1 13 . 1 1 16 16 LEU N N 16 122.670 122.670 126.189 -3.519 19331 4114 1 13 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.660 -0.206 19331 4115 1 13 . 1 1 16 16 LEU C C 16 173.805 173.805 175.747 -1.942 19331 4116 1 13 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.721 0.359 19331 4117 1 13 . 1 1 16 16 LEU CB C 16 41.852 41.852 43.945 -2.093 19331 4118 1 13 . 1 1 16 16 LEU H H 16 8.394 8.394 8.402 -0.008 19331 4119 1 13 . 1 1 17 17 LYS N N 17 120.445 120.445 124.467 -4.022 19331 4120 1 13 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.612 0.265 19331 4121 1 13 . 1 1 17 17 LYS C C 17 175.777 175.777 175.852 -0.075 19331 4122 1 13 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.579 -1.090 19331 4123 1 13 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.579 1.575 19331 4124 1 13 . 1 1 17 17 LYS H H 17 8.026 8.026 8.315 -0.289 19331 4125 1 13 . 1 1 18 18 CYS N N 18 127.176 127.176 122.771 4.405 19331 4126 1 13 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.620 -0.393 19331 4127 1 13 . 1 1 18 18 CYS C C 18 176.551 176.551 174.222 2.329 19331 4128 1 13 . 1 1 18 18 CYS CA C 18 60.677 60.677 59.135 1.542 19331 4129 1 13 . 1 1 18 18 CYS CB C 18 29.821 29.821 27.899 1.922 19331 4130 1 13 . 1 1 18 18 CYS H H 18 9.071 9.071 8.570 0.501 19331 4131 1 13 . 1 1 19 19 ASP N N 19 130.419 130.419 125.170 5.249 19331 4132 1 13 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.704 -0.340 19331 4133 1 13 . 1 1 19 19 ASP C C 19 175.433 175.433 175.026 0.407 19331 4134 1 13 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.311 1.360 19331 4135 1 13 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.763 -2.150 19331 4136 1 13 . 1 1 19 19 ASP H H 19 9.137 9.137 8.360 0.777 19331 4137 1 13 . 1 1 20 20 VAL N N 20 123.067 123.067 120.591 2.476 19331 4138 1 13 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.477 -0.655 19331 4139 1 13 . 1 1 20 20 VAL C C 20 177.009 177.009 174.867 2.142 19331 4140 1 13 . 1 1 20 20 VAL CA C 20 65.362 65.362 60.951 4.411 19331 4141 1 13 . 1 1 20 20 VAL CB C 20 32.970 32.970 33.828 -0.858 19331 4142 1 13 . 1 1 20 20 VAL H H 20 9.022 9.022 8.375 0.647 19331 4143 1 13 . 1 1 21 21 CYS N N 21 115.484 115.484 120.322 -4.838 19331 4144 1 13 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.693 0.422 19331 4145 1 13 . 1 1 21 21 CYS C C 21 176.178 176.178 175.948 0.230 19331 4146 1 13 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.242 -0.175 19331 4147 1 13 . 1 1 21 21 CYS CB C 21 33.096 33.096 29.802 3.294 19331 4148 1 13 . 1 1 21 21 CYS H H 21 8.092 8.092 8.447 -0.355 19331 4149 1 13 . 1 1 22 22 GLY N N 22 113.222 113.222 110.965 2.257 19331 4150 1 13 . 1 1 22 22 GLY C C 22 173.028 173.028 174.229 -1.201 19331 4151 1 13 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.942 0.799 19331 4152 1 13 . 1 1 22 22 GLY H H 22 7.931 7.931 8.459 -0.528 19331 4153 1 13 . 1 1 23 23 MET N N 23 122.930 122.930 121.162 1.768 19331 4154 1 13 . 1 1 23 23 MET HA H 23 4.075 4.075 4.622 -0.547 19331 4155 1 13 . 1 1 23 23 MET C C 23 174.950 174.950 176.365 -1.415 19331 4156 1 13 . 1 1 23 23 MET CA C 23 57.226 57.226 54.951 2.275 19331 4157 1 13 . 1 1 23 23 MET CB C 23 33.750 33.750 33.803 -0.053 19331 4158 1 13 . 1 1 23 23 MET H H 23 8.276 8.276 7.819 0.457 19331 4159 1 13 . 1 1 24 24 VAL N N 24 126.800 126.800 120.182 6.618 19331 4160 1 13 . 1 1 24 24 VAL HA H 24 4.330 4.330 3.791 0.539 19331 4161 1 13 . 1 1 24 24 VAL C C 24 176.124 176.124 174.908 1.216 19331 4162 1 13 . 1 1 24 24 VAL CA C 24 62.581 62.581 62.113 0.468 19331 4163 1 13 . 1 1 24 24 VAL CB C 24 31.843 31.843 31.585 0.258 19331 4164 1 13 . 1 1 24 24 VAL H H 24 8.466 8.466 8.491 -0.025 19331 4165 1 13 . 1 1 25 25 CYS N N 25 125.377 125.377 124.308 1.069 19331 4166 1 13 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.472 0.257 19331 4167 1 13 . 1 1 25 25 CYS C C 25 173.829 173.829 175.362 -1.533 19331 4168 1 13 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.732 -1.222 19331 4169 1 13 . 1 1 25 25 CYS CB C 25 31.649 31.649 27.645 4.004 19331 4170 1 13 . 1 1 25 25 CYS H H 25 8.720 8.720 8.235 0.485 19331 4171 1 13 . 1 1 26 26 ILE N N 26 119.435 119.435 122.497 -3.062 19331 4172 1 13 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.250 -0.080 19331 4173 1 13 . 1 1 26 26 ILE C C 26 175.334 175.334 176.484 -1.150 19331 4174 1 13 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.678 0.268 19331 4175 1 13 . 1 1 26 26 ILE CB C 26 37.870 37.870 37.732 0.138 19331 4176 1 13 . 1 1 26 26 ILE H H 26 8.407 8.407 8.114 0.293 19331 4177 1 13 . 1 1 27 27 GLY N N 27 109.455 109.455 114.140 -4.685 19331 4178 1 13 . 1 1 27 27 GLY CA C 27 44.598 44.598 43.938 0.660 19331 4179 1 13 . 1 1 27 27 GLY H H 27 7.444 7.444 8.451 -1.007 19331 4180 1 13 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.512 -0.332 19331 4181 1 13 . 1 1 28 28 PRO C C 28 178.526 178.526 176.391 2.135 19331 4182 1 13 . 1 1 28 28 PRO CA C 28 65.014 65.014 61.864 3.151 19331 4183 1 13 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.634 -0.886 19331 4184 1 13 . 1 1 29 29 ASN N N 29 118.871 118.871 120.049 -1.178 19331 4185 1 13 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.506 0.068 19331 4186 1 13 . 1 1 29 29 ASN C C 29 176.925 176.925 176.745 0.180 19331 4187 1 13 . 1 1 29 29 ASN CA C 29 56.454 56.454 54.158 2.296 19331 4188 1 13 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.990 -0.509 19331 4189 1 13 . 1 1 29 29 ASN H H 29 8.722 8.722 8.708 0.014 19331 4190 1 13 . 1 1 30 30 VAL N N 30 120.904 120.904 120.691 0.213 19331 4191 1 13 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.753 -0.036 19331 4192 1 13 . 1 1 30 30 VAL C C 30 178.526 178.526 176.918 1.608 19331 4193 1 13 . 1 1 30 30 VAL CA C 30 65.881 65.881 65.214 0.667 19331 4194 1 13 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.404 0.436 19331 4195 1 13 . 1 1 30 30 VAL H H 30 7.475 7.475 8.222 -0.747 19331 4196 1 13 . 1 1 31 31 LEU N N 31 120.665 120.665 118.154 2.511 19331 4197 1 13 . 1 1 31 31 LEU HA H 31 4.467 4.467 3.937 0.530 19331 4198 1 13 . 1 1 31 31 LEU C C 31 177.379 177.379 179.236 -1.857 19331 4199 1 13 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.636 0.466 19331 4200 1 13 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.158 0.209 19331 4201 1 13 . 1 1 31 31 LEU H H 31 7.853 7.853 7.218 0.635 19331 4202 1 13 . 1 1 32 32 MET N N 32 117.671 117.671 118.574 -0.903 19331 4203 1 13 . 1 1 32 32 MET HA H 32 4.099 4.099 4.314 -0.215 19331 4204 1 13 . 1 1 32 32 MET C C 32 178.927 178.927 178.122 0.805 19331 4205 1 13 . 1 1 32 32 MET CA C 32 59.015 59.015 57.771 1.244 19331 4206 1 13 . 1 1 32 32 MET CB C 32 32.105 32.105 31.986 0.118 19331 4207 1 13 . 1 1 32 32 MET H H 32 7.974 7.974 7.344 0.630 19331 4208 1 13 . 1 1 33 33 VAL N N 33 119.384 119.384 120.231 -0.847 19331 4209 1 13 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.646 -0.104 19331 4210 1 13 . 1 1 33 33 VAL C C 33 179.275 179.275 177.593 1.682 19331 4211 1 13 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.048 0.605 19331 4212 1 13 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.395 0.420 19331 4213 1 13 . 1 1 33 33 VAL H H 33 7.747 7.747 8.183 -0.436 19331 4214 1 13 . 1 1 34 34 HIS N N 34 120.938 120.938 118.143 2.795 19331 4215 1 13 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.306 -0.086 19331 4216 1 13 . 1 1 34 34 HIS C C 34 178.486 178.486 177.134 1.352 19331 4217 1 13 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.103 0.695 19331 4218 1 13 . 1 1 34 34 HIS CB C 34 28.036 28.036 30.047 -2.011 19331 4219 1 13 . 1 1 34 34 HIS H H 34 8.664 8.664 7.875 0.789 19331 4220 1 13 . 1 1 35 35 LYS N N 35 119.725 119.725 118.862 0.863 19331 4221 1 13 . 1 1 35 35 LYS HA H 35 3.716 3.716 3.850 -0.134 19331 4222 1 13 . 1 1 35 35 LYS C C 35 178.526 178.526 178.860 -0.334 19331 4223 1 13 . 1 1 35 35 LYS CA C 35 60.666 60.666 58.226 2.440 19331 4224 1 13 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.343 -0.915 19331 4225 1 13 . 1 1 35 35 LYS H H 35 9.034 9.034 7.889 1.145 19331 4226 1 13 . 1 1 36 36 ARG N N 36 118.491 118.491 119.265 -0.774 19331 4227 1 13 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.135 0.014 19331 4228 1 13 . 1 1 36 36 ARG C C 36 177.752 177.752 177.640 0.112 19331 4229 1 13 . 1 1 36 36 ARG CA C 36 58.107 58.107 57.956 0.151 19331 4230 1 13 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.701 0.013 19331 4231 1 13 . 1 1 36 36 ARG H H 36 7.458 7.458 8.288 -0.830 19331 4232 1 13 . 1 1 37 37 SER N N 37 113.811 113.811 112.148 1.663 19331 4233 1 13 . 1 1 37 37 SER HA H 37 4.202 4.202 4.311 -0.109 19331 4234 1 13 . 1 1 37 37 SER C C 37 174.576 174.576 174.072 0.504 19331 4235 1 13 . 1 1 37 37 SER CA C 37 60.412 60.412 60.458 -0.046 19331 4236 1 13 . 1 1 37 37 SER CB C 37 62.129 62.129 63.617 -1.488 19331 4237 1 13 . 1 1 37 37 SER H H 37 7.771 7.771 8.107 -0.336 19331 4238 1 13 . 1 1 38 38 HIS N N 38 118.829 118.829 116.947 1.882 19331 4239 1 13 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.788 0.206 19331 4240 1 13 . 1 1 38 38 HIS C C 38 174.977 174.977 173.927 1.050 19331 4241 1 13 . 1 1 38 38 HIS CA C 38 54.798 54.798 54.614 0.184 19331 4242 1 13 . 1 1 38 38 HIS CB C 38 28.317 28.317 31.679 -3.362 19331 4243 1 13 . 1 1 38 38 HIS H H 38 7.265 7.265 7.397 -0.132 19331 4244 1 13 . 1 1 39 39 THR N N 39 113.289 113.289 118.344 -5.055 19331 4245 1 13 . 1 1 39 39 THR HA H 39 4.353 4.353 4.450 -0.097 19331 4246 1 13 . 1 1 39 39 THR C C 39 174.977 174.977 174.787 0.190 19331 4247 1 13 . 1 1 39 39 THR CA C 39 62.252 62.252 61.863 0.389 19331 4248 1 13 . 1 1 39 39 THR CB C 39 69.773 69.773 68.410 1.363 19331 4249 1 13 . 1 1 39 39 THR H H 39 7.814 7.814 8.467 -0.653 19331 4250 1 13 . 1 1 40 40 GLY N N 40 110.879 110.879 115.032 -4.153 19331 4251 1 13 . 1 1 40 40 GLY C C 40 173.802 173.802 174.436 -0.634 19331 4252 1 13 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.091 0.082 19331 4253 1 13 . 1 1 40 40 GLY H H 40 8.425 8.425 8.527 -0.102 19331 4254 1 13 . 1 1 41 41 GLU N N 41 120.081 120.081 122.935 -2.854 19331 4255 1 13 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.458 -0.236 19331 4256 1 13 . 1 1 41 41 GLU C C 41 176.151 176.151 176.507 -0.356 19331 4257 1 13 . 1 1 41 41 GLU CA C 41 56.710 56.710 55.433 1.277 19331 4258 1 13 . 1 1 41 41 GLU CB C 41 30.550 30.550 30.446 0.104 19331 4259 1 13 . 1 1 41 41 GLU H H 41 8.127 8.127 8.281 -0.154 19331 4260 1 13 . 1 1 42 42 ARG N N 42 121.379 121.379 120.740 0.639 19331 4261 1 13 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.627 -0.097 19331 4262 1 13 . 1 1 42 42 ARG CA C 42 53.378 53.378 53.605 -0.227 19331 4263 1 13 . 1 1 42 42 ARG CB C 42 30.025 30.025 29.824 0.201 19331 4264 1 13 . 1 1 42 42 ARG H H 42 8.370 8.370 8.211 0.159 19331 4265 1 13 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.266 -0.006 19331 4266 1 13 . 1 1 43 43 PRO C C 43 176.151 176.151 175.566 0.585 19331 4267 1 13 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.804 0.848 19331 4268 1 13 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.956 0.113 19331 4269 1 13 . 1 1 44 44 PHE N N 44 116.589 116.589 122.751 -6.162 19331 4270 1 13 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.367 0.478 19331 4271 1 13 . 1 1 44 44 PHE C C 44 174.603 174.603 175.631 -1.028 19331 4272 1 13 . 1 1 44 44 PHE CA C 44 57.080 57.080 58.729 -1.649 19331 4273 1 13 . 1 1 44 44 PHE CB C 44 39.654 39.654 40.167 -0.513 19331 4274 1 13 . 1 1 44 44 PHE H H 44 7.659 7.659 8.257 -0.598 19331 4275 1 13 . 1 1 45 45 HIS N N 45 121.791 121.791 117.933 3.858 19331 4276 1 13 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.487 -0.196 19331 4277 1 13 . 1 1 45 45 HIS C C 45 172.655 172.655 174.478 -1.823 19331 4278 1 13 . 1 1 45 45 HIS CA C 45 54.560 54.560 55.367 -0.807 19331 4279 1 13 . 1 1 45 45 HIS CB C 45 31.774 31.774 33.806 -2.033 19331 4280 1 13 . 1 1 45 45 HIS H H 45 9.070 9.070 8.505 0.565 19331 4281 1 13 . 1 1 46 46 CYS N N 46 125.392 125.392 121.957 3.435 19331 4282 1 13 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.898 -0.356 19331 4283 1 13 . 1 1 46 46 CYS C C 46 176.525 176.525 175.100 1.425 19331 4284 1 13 . 1 1 46 46 CYS CA C 46 59.233 59.233 57.706 1.526 19331 4285 1 13 . 1 1 46 46 CYS CB C 46 29.948 29.948 29.281 0.667 19331 4286 1 13 . 1 1 46 46 CYS H H 46 9.189 9.189 8.706 0.483 19331 4287 1 13 . 1 1 47 47 ASN N N 47 128.827 128.827 124.587 4.240 19331 4288 1 13 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.536 0.161 19331 4289 1 13 . 1 1 47 47 ASN C C 47 175.433 175.433 175.522 -0.089 19331 4290 1 13 . 1 1 47 47 ASN CA C 47 54.982 54.982 55.574 -0.592 19331 4291 1 13 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.567 -0.330 19331 4292 1 13 . 1 1 47 47 ASN H H 47 9.302 9.302 8.984 0.318 19331 4293 1 13 . 1 1 48 48 GLN N N 48 120.952 120.952 119.277 1.675 19331 4294 1 13 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.480 -0.173 19331 4295 1 13 . 1 1 48 48 GLN C C 48 176.151 176.151 175.681 0.470 19331 4296 1 13 . 1 1 48 48 GLN CA C 48 57.832 57.832 55.566 2.266 19331 4297 1 13 . 1 1 48 48 GLN CB C 48 29.163 29.163 27.109 2.054 19331 4298 1 13 . 1 1 48 48 GLN H H 48 9.139 9.139 8.592 0.547 19331 4299 1 13 . 1 1 49 49 CYS N N 49 116.176 116.176 114.449 1.727 19331 4300 1 13 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.732 0.417 19331 4301 1 13 . 1 1 49 49 CYS C C 49 175.430 175.430 174.926 0.504 19331 4302 1 13 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.371 -1.022 19331 4303 1 13 . 1 1 49 49 CYS CB C 49 32.264 32.264 29.532 2.732 19331 4304 1 13 . 1 1 49 49 CYS H H 49 8.117 8.117 8.171 -0.054 19331 4305 1 13 . 1 1 50 50 GLY N N 50 111.724 111.724 112.508 -0.784 19331 4306 1 13 . 1 1 50 50 GLY C C 50 173.758 173.758 173.090 0.668 19331 4307 1 13 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.416 0.475 19331 4308 1 13 . 1 1 50 50 GLY H H 50 8.142 8.142 8.247 -0.105 19331 4309 1 13 . 1 1 51 51 ALA N N 51 126.041 126.041 125.929 0.112 19331 4310 1 13 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.552 -0.465 19331 4311 1 13 . 1 1 51 51 ALA C C 51 175.350 175.350 175.145 0.205 19331 4312 1 13 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.230 2.275 19331 4313 1 13 . 1 1 51 51 ALA CB C 51 19.611 19.611 21.709 -2.098 19331 4314 1 13 . 1 1 51 51 ALA H H 51 8.420 8.420 7.548 0.872 19331 4315 1 13 . 1 1 52 52 SER N N 52 113.511 113.511 115.995 -2.484 19331 4316 1 13 . 1 1 52 52 SER HA H 52 5.255 5.255 4.978 0.277 19331 4317 1 13 . 1 1 52 52 SER C C 52 173.002 173.002 173.362 -0.360 19331 4318 1 13 . 1 1 52 52 SER CA C 52 56.680 56.680 56.247 0.433 19331 4319 1 13 . 1 1 52 52 SER CB C 52 65.958 65.958 64.441 1.517 19331 4320 1 13 . 1 1 52 52 SER H H 52 7.829 7.829 8.097 -0.268 19331 4321 1 13 . 1 1 53 53 PHE N N 53 117.376 117.376 123.830 -6.454 19331 4322 1 13 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.760 0.118 19331 4323 1 13 . 1 1 53 53 PHE C C 53 174.977 174.977 175.666 -0.689 19331 4324 1 13 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.471 0.085 19331 4325 1 13 . 1 1 53 53 PHE CB C 53 43.874 43.874 41.275 2.599 19331 4326 1 13 . 1 1 53 53 PHE H H 53 8.802 8.802 8.679 0.123 19331 4327 1 13 . 1 1 54 54 THR N N 54 114.290 114.290 118.340 -4.050 19331 4328 1 13 . 1 1 54 54 THR HA H 54 4.553 4.553 4.216 0.337 19331 4329 1 13 . 1 1 54 54 THR C C 54 174.229 174.229 175.100 -0.871 19331 4330 1 13 . 1 1 54 54 THR CA C 54 63.789 63.789 64.338 -0.549 19331 4331 1 13 . 1 1 54 54 THR CB C 54 69.491 69.491 69.438 0.053 19331 4332 1 13 . 1 1 54 54 THR H H 54 9.129 9.129 8.844 0.285 19331 4333 1 13 . 1 1 55 55 GLN N N 55 117.684 117.684 119.460 -1.776 19331 4334 1 13 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.877 -0.093 19331 4335 1 13 . 1 1 55 55 GLN C C 55 176.124 176.124 176.593 -0.469 19331 4336 1 13 . 1 1 55 55 GLN CA C 55 54.065 54.065 53.670 0.395 19331 4337 1 13 . 1 1 55 55 GLN CB C 55 31.444 31.444 31.340 0.104 19331 4338 1 13 . 1 1 55 55 GLN H H 55 7.563 7.563 8.021 -0.458 19331 4339 1 13 . 1 1 56 56 LYS N N 56 127.497 127.497 122.924 4.573 19331 4340 1 13 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.556 -0.765 19331 4341 1 13 . 1 1 56 56 LYS C C 56 178.179 178.179 177.676 0.503 19331 4342 1 13 . 1 1 56 56 LYS CA C 56 59.297 59.297 58.616 0.681 19331 4343 1 13 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.347 0.387 19331 4344 1 13 . 1 1 56 56 LYS H H 56 8.680 8.680 8.787 -0.107 19331 4345 1 13 . 1 1 57 57 GLY N N 57 105.111 105.111 108.044 -2.933 19331 4346 1 13 . 1 1 57 57 GLY C C 57 176.204 176.204 175.663 0.541 19331 4347 1 13 . 1 1 57 57 GLY CA C 57 47.070 47.070 46.832 0.238 19331 4348 1 13 . 1 1 57 57 GLY H H 57 8.900 8.900 8.785 0.115 19331 4349 1 13 . 1 1 58 58 ASN N N 58 117.732 117.732 120.443 -2.711 19331 4350 1 13 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.506 -0.058 19331 4351 1 13 . 1 1 58 58 ASN C C 58 177.325 177.325 176.952 0.373 19331 4352 1 13 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.117 -0.206 19331 4353 1 13 . 1 1 58 58 ASN CB C 58 37.462 37.462 38.479 -1.017 19331 4354 1 13 . 1 1 58 58 ASN H H 58 6.958 6.958 7.468 -0.510 19331 4355 1 13 . 1 1 59 59 LEU N N 59 123.027 123.027 122.059 0.968 19331 4356 1 13 . 1 1 59 59 LEU HA H 59 3.126 3.126 2.912 0.214 19331 4357 1 13 . 1 1 59 59 LEU C C 59 177.352 177.352 177.473 -0.121 19331 4358 1 13 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.661 -0.002 19331 4359 1 13 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.612 -1.702 19331 4360 1 13 . 1 1 59 59 LEU H H 59 6.885 6.885 7.202 -0.317 19331 4361 1 13 . 1 1 60 60 LEU N N 60 117.860 117.860 116.959 0.901 19331 4362 1 13 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.835 0.061 19331 4363 1 13 . 1 1 60 60 LEU C C 60 179.669 179.669 178.971 0.698 19331 4364 1 13 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.671 0.467 19331 4365 1 13 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.252 -0.620 19331 4366 1 13 . 1 1 60 60 LEU H H 60 8.078 8.078 8.060 0.018 19331 4367 1 13 . 1 1 61 61 ARG N N 61 117.382 117.382 118.657 -1.275 19331 4368 1 13 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.888 0.040 19331 4369 1 13 . 1 1 61 61 ARG C C 61 177.752 177.752 178.426 -0.674 19331 4370 1 13 . 1 1 61 61 ARG CA C 61 59.258 59.258 59.259 -0.001 19331 4371 1 13 . 1 1 61 61 ARG CB C 61 30.346 30.346 30.020 0.326 19331 4372 1 13 . 1 1 61 61 ARG H H 61 7.414 7.414 7.489 -0.075 19331 4373 1 13 . 1 1 62 62 HIS N N 62 119.118 119.118 118.933 0.185 19331 4374 1 13 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.391 -0.280 19331 4375 1 13 . 1 1 62 62 HIS C C 62 176.978 176.978 177.906 -0.928 19331 4376 1 13 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.646 -0.080 19331 4377 1 13 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.395 -1.837 19331 4378 1 13 . 1 1 62 62 HIS H H 62 7.360 7.360 7.532 -0.172 19331 4379 1 13 . 1 1 63 63 ILE N N 63 116.662 116.662 114.982 1.680 19331 4380 1 13 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.157 -0.488 19331 4381 1 13 . 1 1 63 63 ILE C C 63 178.526 178.526 176.834 1.692 19331 4382 1 13 . 1 1 63 63 ILE CA C 63 65.875 65.875 63.882 1.993 19331 4383 1 13 . 1 1 63 63 ILE CB C 63 38.085 38.085 38.060 0.025 19331 4384 1 13 . 1 1 63 63 ILE H H 63 8.500 8.500 8.139 0.361 19331 4385 1 13 . 1 1 64 64 LYS N N 64 119.456 119.456 120.143 -0.687 19331 4386 1 13 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.113 -0.045 19331 4387 1 13 . 1 1 64 64 LYS C C 64 178.553 178.553 179.242 -0.689 19331 4388 1 13 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.045 -0.378 19331 4389 1 13 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.535 -0.531 19331 4390 1 13 . 1 1 64 64 LYS H H 64 7.174 7.174 7.492 -0.318 19331 4391 1 13 . 1 1 65 65 LEU N N 65 118.539 118.539 117.960 0.579 19331 4392 1 13 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.064 -0.000 19331 4393 1 13 . 1 1 65 65 LEU C C 65 178.980 178.980 178.304 0.676 19331 4394 1 13 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.727 -0.120 19331 4395 1 13 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.486 -0.509 19331 4396 1 13 . 1 1 65 65 LEU H H 65 7.744 7.744 7.329 0.415 19331 4397 1 13 . 1 1 66 66 HIS N N 66 115.422 115.422 115.117 0.305 19331 4398 1 13 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.495 0.238 19331 4399 1 13 . 1 1 66 66 HIS C C 66 175.671 175.671 174.968 0.703 19331 4400 1 13 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.437 -1.309 19331 4401 1 13 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.959 -2.386 19331 4402 1 13 . 1 1 66 66 HIS H H 66 7.357 7.357 8.056 -0.699 19331 4403 1 13 . 1 1 67 67 SER N N 67 115.047 115.047 112.548 2.499 19331 4404 1 13 . 1 1 67 67 SER HA H 67 4.459 4.459 4.763 -0.304 19331 4405 1 13 . 1 1 67 67 SER C C 67 175.003 175.003 175.008 -0.005 19331 4406 1 13 . 1 1 67 67 SER CA C 67 59.246 59.246 56.629 2.617 19331 4407 1 13 . 1 1 67 67 SER CB C 67 63.693 63.693 64.483 -0.790 19331 4408 1 13 . 1 1 67 67 SER H H 67 7.859 7.859 7.580 0.279 19331 4409 1 13 . 1 1 68 68 GLY N N 68 110.437 110.437 107.973 2.464 19331 4410 1 13 . 1 1 68 68 GLY C C 68 173.812 173.812 174.798 -0.986 19331 4411 1 13 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.918 -0.611 19331 4412 1 13 . 1 1 68 68 GLY H H 68 8.281 8.281 8.450 -0.169 19331 4413 1 13 . 1 1 69 69 GLU N N 69 120.321 120.321 120.139 0.182 19331 4414 1 13 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.623 -0.343 19331 4415 1 13 . 1 1 69 69 GLU C C 69 176.124 176.124 174.961 1.163 19331 4416 1 13 . 1 1 69 69 GLU CA C 69 56.393 56.393 55.261 1.132 19331 4417 1 13 . 1 1 69 69 GLU CB C 69 30.396 30.396 32.393 -1.997 19331 4418 1 13 . 1 1 69 69 GLU H H 69 8.069 8.069 8.056 0.013 19331 4419 1 13 . 1 1 70 70 LYS N N 70 123.278 123.278 124.632 -1.354 19331 4420 1 13 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.622 -0.028 19331 4421 1 13 . 1 1 70 70 LYS CA C 70 54.065 54.065 54.993 -0.928 19331 4422 1 13 . 1 1 70 70 LYS CB C 70 32.557 32.557 31.991 0.566 19331 4423 1 13 . 1 1 70 70 LYS H H 70 8.349 8.349 8.389 -0.040 19331 4424 1 13 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.583 -0.192 19331 4425 1 13 . 1 1 71 71 PRO C C 71 176.178 176.178 175.859 0.319 19331 4426 1 13 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.860 0.283 19331 4427 1 13 . 1 1 71 71 PRO CB C 71 31.837 31.837 30.575 1.262 19331 4428 1 13 . 1 1 72 72 PHE N N 72 120.324 120.324 124.498 -4.174 19331 4429 1 13 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.358 0.248 19331 4430 1 13 . 1 1 72 72 PHE C C 72 174.546 174.546 175.331 -0.785 19331 4431 1 13 . 1 1 72 72 PHE CA C 72 57.543 57.543 59.173 -1.630 19331 4432 1 13 . 1 1 72 72 PHE CB C 72 39.501 39.501 40.038 -0.537 19331 4433 1 13 . 1 1 72 72 PHE H H 72 8.177 8.177 8.371 -0.194 19331 4434 1 14 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.694 -0.434 19331 4435 1 14 . 1 1 12 12 PRO C C 12 175.377 175.377 175.434 -0.057 19331 4436 1 14 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.590 0.795 19331 4437 1 14 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.286 -0.217 19331 4438 1 14 . 1 1 13 13 ASN N N 13 123.885 123.885 115.549 8.336 19331 4439 1 14 . 1 1 13 13 ASN HA H 13 4.464 4.464 5.321 -0.857 19331 4440 1 14 . 1 1 13 13 ASN C C 13 176.178 176.178 174.181 1.997 19331 4441 1 14 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.103 2.731 19331 4442 1 14 . 1 1 13 13 ASN CB C 13 41.005 41.005 40.486 0.519 19331 4443 1 14 . 1 1 13 13 ASN H H 13 8.001 8.001 8.751 -0.750 19331 4444 1 14 . 1 1 14 14 GLY N N 14 113.831 113.831 107.970 5.861 19331 4445 1 14 . 1 1 14 14 GLY C C 14 174.152 174.152 173.162 0.990 19331 4446 1 14 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.370 -0.005 19331 4447 1 14 . 1 1 14 14 GLY H H 14 8.367 8.367 8.432 -0.065 19331 4448 1 14 . 1 1 15 15 LYS N N 15 119.903 119.903 123.724 -3.821 19331 4449 1 14 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.520 -0.223 19331 4450 1 14 . 1 1 15 15 LYS C C 15 176.217 176.217 175.887 0.330 19331 4451 1 14 . 1 1 15 15 LYS CA C 15 56.921 56.921 56.278 0.643 19331 4452 1 14 . 1 1 15 15 LYS CB C 15 32.804 32.804 32.200 0.604 19331 4453 1 14 . 1 1 15 15 LYS H H 15 8.200 8.200 8.332 -0.132 19331 4454 1 14 . 1 1 16 16 LEU N N 16 122.670 122.670 127.050 -4.380 19331 4455 1 14 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.835 -0.381 19331 4456 1 14 . 1 1 16 16 LEU C C 16 173.805 173.805 177.083 -3.278 19331 4457 1 14 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.172 0.908 19331 4458 1 14 . 1 1 16 16 LEU CB C 16 41.852 41.852 44.137 -2.285 19331 4459 1 14 . 1 1 16 16 LEU H H 16 8.394 8.394 8.537 -0.143 19331 4460 1 14 . 1 1 17 17 LYS N N 17 120.445 120.445 121.016 -0.571 19331 4461 1 14 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.938 -0.061 19331 4462 1 14 . 1 1 17 17 LYS C C 17 175.777 175.777 174.799 0.978 19331 4463 1 14 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.454 -0.965 19331 4464 1 14 . 1 1 17 17 LYS CB C 17 35.154 35.154 34.694 0.460 19331 4465 1 14 . 1 1 17 17 LYS H H 17 8.026 8.026 8.579 -0.553 19331 4466 1 14 . 1 1 18 18 CYS N N 18 127.176 127.176 120.036 7.140 19331 4467 1 14 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.726 -0.499 19331 4468 1 14 . 1 1 18 18 CYS C C 18 176.551 176.551 173.221 3.330 19331 4469 1 14 . 1 1 18 18 CYS CA C 18 60.677 60.677 57.958 2.719 19331 4470 1 14 . 1 1 18 18 CYS CB C 18 29.821 29.821 28.665 1.156 19331 4471 1 14 . 1 1 18 18 CYS H H 18 9.071 9.071 8.484 0.587 19331 4472 1 14 . 1 1 19 19 ASP N N 19 130.419 130.419 124.462 5.957 19331 4473 1 14 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.820 -0.456 19331 4474 1 14 . 1 1 19 19 ASP C C 19 175.433 175.433 174.836 0.597 19331 4475 1 14 . 1 1 19 19 ASP CA C 19 55.671 55.671 53.672 1.998 19331 4476 1 14 . 1 1 19 19 ASP CB C 19 39.613 39.613 42.041 -2.428 19331 4477 1 14 . 1 1 19 19 ASP H H 19 9.137 9.137 8.345 0.792 19331 4478 1 14 . 1 1 20 20 VAL N N 20 123.067 123.067 121.514 1.553 19331 4479 1 14 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.346 -0.524 19331 4480 1 14 . 1 1 20 20 VAL C C 20 177.009 177.009 175.064 1.945 19331 4481 1 14 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.901 3.461 19331 4482 1 14 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.582 0.388 19331 4483 1 14 . 1 1 20 20 VAL H H 20 9.022 9.022 8.198 0.824 19331 4484 1 14 . 1 1 21 21 CYS N N 21 115.484 115.484 126.099 -10.615 19331 4485 1 14 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.486 0.629 19331 4486 1 14 . 1 1 21 21 CYS C C 21 176.178 176.178 176.235 -0.057 19331 4487 1 14 . 1 1 21 21 CYS CA C 21 58.067 58.067 59.073 -1.006 19331 4488 1 14 . 1 1 21 21 CYS CB C 21 33.096 33.096 28.953 4.143 19331 4489 1 14 . 1 1 21 21 CYS H H 21 8.092 8.092 8.536 -0.444 19331 4490 1 14 . 1 1 22 22 GLY N N 22 113.222 113.222 114.974 -1.752 19331 4491 1 14 . 1 1 22 22 GLY C C 22 173.028 173.028 173.781 -0.753 19331 4492 1 14 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.504 1.237 19331 4493 1 14 . 1 1 22 22 GLY H H 22 7.931 7.931 8.755 -0.824 19331 4494 1 14 . 1 1 23 23 MET N N 23 122.930 122.930 122.526 0.404 19331 4495 1 14 . 1 1 23 23 MET HA H 23 4.075 4.075 4.352 -0.277 19331 4496 1 14 . 1 1 23 23 MET C C 23 174.950 174.950 176.629 -1.679 19331 4497 1 14 . 1 1 23 23 MET CA C 23 57.226 57.226 55.359 1.867 19331 4498 1 14 . 1 1 23 23 MET CB C 23 33.750 33.750 32.530 1.220 19331 4499 1 14 . 1 1 23 23 MET H H 23 8.276 8.276 7.927 0.349 19331 4500 1 14 . 1 1 24 24 VAL N N 24 126.800 126.800 127.376 -0.576 19331 4501 1 14 . 1 1 24 24 VAL HA H 24 4.330 4.330 3.957 0.373 19331 4502 1 14 . 1 1 24 24 VAL C C 24 176.124 176.124 175.812 0.312 19331 4503 1 14 . 1 1 24 24 VAL CA C 24 62.581 62.581 62.135 0.446 19331 4504 1 14 . 1 1 24 24 VAL CB C 24 31.843 31.843 30.439 1.404 19331 4505 1 14 . 1 1 24 24 VAL H H 24 8.466 8.466 8.778 -0.312 19331 4506 1 14 . 1 1 25 25 CYS N N 25 125.377 125.377 127.437 -2.060 19331 4507 1 14 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.529 0.200 19331 4508 1 14 . 1 1 25 25 CYS C C 25 173.829 173.829 174.153 -0.324 19331 4509 1 14 . 1 1 25 25 CYS CA C 25 57.510 57.510 59.398 -1.888 19331 4510 1 14 . 1 1 25 25 CYS CB C 25 31.649 31.649 25.677 5.972 19331 4511 1 14 . 1 1 25 25 CYS H H 25 8.720 8.720 8.268 0.452 19331 4512 1 14 . 1 1 26 26 ILE N N 26 119.435 119.435 126.344 -6.909 19331 4513 1 14 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.410 -0.240 19331 4514 1 14 . 1 1 26 26 ILE C C 26 175.334 175.334 174.482 0.852 19331 4515 1 14 . 1 1 26 26 ILE CA C 26 61.946 61.946 62.156 -0.210 19331 4516 1 14 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.847 -1.977 19331 4517 1 14 . 1 1 26 26 ILE H H 26 8.407 8.407 7.787 0.620 19331 4518 1 14 . 1 1 27 27 GLY N N 27 109.455 109.455 117.404 -7.949 19331 4519 1 14 . 1 1 27 27 GLY CA C 27 44.598 44.598 42.891 1.707 19331 4520 1 14 . 1 1 27 27 GLY H H 27 7.444 7.444 8.525 -1.081 19331 4521 1 14 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.214 -0.034 19331 4522 1 14 . 1 1 28 28 PRO C C 28 178.526 178.526 178.292 0.234 19331 4523 1 14 . 1 1 28 28 PRO CA C 28 65.014 65.014 64.557 0.457 19331 4524 1 14 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.244 -0.496 19331 4525 1 14 . 1 1 29 29 ASN N N 29 118.871 118.871 116.283 2.588 19331 4526 1 14 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.621 -0.047 19331 4527 1 14 . 1 1 29 29 ASN C C 29 176.925 176.925 177.183 -0.258 19331 4528 1 14 . 1 1 29 29 ASN CA C 29 56.454 56.454 54.619 1.835 19331 4529 1 14 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.956 -0.475 19331 4530 1 14 . 1 1 29 29 ASN H H 29 8.722 8.722 8.331 0.391 19331 4531 1 14 . 1 1 30 30 VAL N N 30 120.904 120.904 120.913 -0.009 19331 4532 1 14 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.843 -0.126 19331 4533 1 14 . 1 1 30 30 VAL C C 30 178.526 178.526 177.423 1.103 19331 4534 1 14 . 1 1 30 30 VAL CA C 30 65.881 65.881 65.448 0.433 19331 4535 1 14 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.597 0.243 19331 4536 1 14 . 1 1 30 30 VAL H H 30 7.475 7.475 7.872 -0.397 19331 4537 1 14 . 1 1 31 31 LEU N N 31 120.665 120.665 120.784 -0.119 19331 4538 1 14 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.199 0.268 19331 4539 1 14 . 1 1 31 31 LEU C C 31 177.379 177.379 178.388 -1.009 19331 4540 1 14 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.359 0.743 19331 4541 1 14 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.635 -0.268 19331 4542 1 14 . 1 1 31 31 LEU H H 31 7.853 7.853 7.479 0.374 19331 4543 1 14 . 1 1 32 32 MET N N 32 117.671 117.671 118.750 -1.079 19331 4544 1 14 . 1 1 32 32 MET HA H 32 4.099 4.099 4.206 -0.107 19331 4545 1 14 . 1 1 32 32 MET C C 32 178.927 178.927 178.155 0.772 19331 4546 1 14 . 1 1 32 32 MET CA C 32 59.015 59.015 57.729 1.286 19331 4547 1 14 . 1 1 32 32 MET CB C 32 32.105 32.105 32.360 -0.255 19331 4548 1 14 . 1 1 32 32 MET H H 32 7.974 7.974 7.445 0.529 19331 4549 1 14 . 1 1 33 33 VAL N N 33 119.384 119.384 117.166 2.218 19331 4550 1 14 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.707 -0.165 19331 4551 1 14 . 1 1 33 33 VAL C C 33 179.275 179.275 178.465 0.810 19331 4552 1 14 . 1 1 33 33 VAL CA C 33 66.653 66.653 65.661 0.992 19331 4553 1 14 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.521 0.294 19331 4554 1 14 . 1 1 33 33 VAL H H 33 7.747 7.747 8.112 -0.365 19331 4555 1 14 . 1 1 34 34 HIS N N 34 120.938 120.938 120.353 0.585 19331 4556 1 14 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.273 -0.053 19331 4557 1 14 . 1 1 34 34 HIS C C 34 178.486 178.486 176.548 1.938 19331 4558 1 14 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.756 0.042 19331 4559 1 14 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.722 -1.686 19331 4560 1 14 . 1 1 34 34 HIS H H 34 8.664 8.664 7.981 0.683 19331 4561 1 14 . 1 1 35 35 LYS N N 35 119.725 119.725 118.125 1.600 19331 4562 1 14 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.151 -0.435 19331 4563 1 14 . 1 1 35 35 LYS C C 35 178.526 178.526 178.782 -0.256 19331 4564 1 14 . 1 1 35 35 LYS CA C 35 60.666 60.666 58.951 1.715 19331 4565 1 14 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.230 -0.802 19331 4566 1 14 . 1 1 35 35 LYS H H 35 9.034 9.034 7.714 1.320 19331 4567 1 14 . 1 1 36 36 ARG N N 36 118.491 118.491 118.271 0.220 19331 4568 1 14 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.398 -0.249 19331 4569 1 14 . 1 1 36 36 ARG C C 36 177.752 177.752 178.159 -0.407 19331 4570 1 14 . 1 1 36 36 ARG CA C 36 58.107 58.107 55.565 2.542 19331 4571 1 14 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.622 0.092 19331 4572 1 14 . 1 1 36 36 ARG H H 36 7.458 7.458 7.696 -0.238 19331 4573 1 14 . 1 1 37 37 SER N N 37 113.811 113.811 116.298 -2.487 19331 4574 1 14 . 1 1 37 37 SER HA H 37 4.202 4.202 4.055 0.147 19331 4575 1 14 . 1 1 37 37 SER C C 37 174.576 174.576 174.962 -0.386 19331 4576 1 14 . 1 1 37 37 SER CA C 37 60.412 60.412 61.487 -1.075 19331 4577 1 14 . 1 1 37 37 SER CB C 37 62.129 62.129 62.928 -0.799 19331 4578 1 14 . 1 1 37 37 SER H H 37 7.771 7.771 7.588 0.183 19331 4579 1 14 . 1 1 38 38 HIS N N 38 118.829 118.829 120.183 -1.354 19331 4580 1 14 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.956 0.038 19331 4581 1 14 . 1 1 38 38 HIS C C 38 174.977 174.977 176.190 -1.213 19331 4582 1 14 . 1 1 38 38 HIS CA C 38 54.798 54.798 57.465 -2.667 19331 4583 1 14 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.741 -2.424 19331 4584 1 14 . 1 1 38 38 HIS H H 38 7.265 7.265 8.051 -0.786 19331 4585 1 14 . 1 1 39 39 THR N N 39 113.289 113.289 112.608 0.681 19331 4586 1 14 . 1 1 39 39 THR HA H 39 4.353 4.353 4.083 0.270 19331 4587 1 14 . 1 1 39 39 THR C C 39 174.977 174.977 174.671 0.306 19331 4588 1 14 . 1 1 39 39 THR CA C 39 62.252 62.252 62.546 -0.294 19331 4589 1 14 . 1 1 39 39 THR CB C 39 69.773 69.773 67.811 1.962 19331 4590 1 14 . 1 1 39 39 THR H H 39 7.814 7.814 8.533 -0.719 19331 4591 1 14 . 1 1 40 40 GLY N N 40 110.879 110.879 108.445 2.434 19331 4592 1 14 . 1 1 40 40 GLY C C 40 173.802 173.802 174.353 -0.551 19331 4593 1 14 . 1 1 40 40 GLY CA C 40 45.173 45.173 44.531 0.642 19331 4594 1 14 . 1 1 40 40 GLY H H 40 8.425 8.425 8.436 -0.011 19331 4595 1 14 . 1 1 41 41 GLU N N 41 120.081 120.081 123.118 -3.037 19331 4596 1 14 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.127 0.095 19331 4597 1 14 . 1 1 41 41 GLU C C 41 176.151 176.151 177.194 -1.043 19331 4598 1 14 . 1 1 41 41 GLU CA C 41 56.710 56.710 57.937 -1.227 19331 4599 1 14 . 1 1 41 41 GLU CB C 41 30.550 30.550 29.997 0.553 19331 4600 1 14 . 1 1 41 41 GLU H H 41 8.127 8.127 8.182 -0.055 19331 4601 1 14 . 1 1 42 42 ARG N N 42 121.379 121.379 120.541 0.838 19331 4602 1 14 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.631 -0.101 19331 4603 1 14 . 1 1 42 42 ARG CA C 42 53.378 53.378 52.843 0.535 19331 4604 1 14 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.159 -0.134 19331 4605 1 14 . 1 1 42 42 ARG H H 42 8.370 8.370 7.789 0.581 19331 4606 1 14 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.352 -0.092 19331 4607 1 14 . 1 1 43 43 PRO C C 43 176.151 176.151 176.232 -0.081 19331 4608 1 14 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.592 1.060 19331 4609 1 14 . 1 1 43 43 PRO CB C 43 32.069 32.069 32.450 -0.381 19331 4610 1 14 . 1 1 44 44 PHE N N 44 116.589 116.589 116.600 -0.011 19331 4611 1 14 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.616 0.229 19331 4612 1 14 . 1 1 44 44 PHE C C 44 174.603 174.603 175.843 -1.240 19331 4613 1 14 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.979 -0.899 19331 4614 1 14 . 1 1 44 44 PHE CB C 44 39.654 39.654 39.268 0.386 19331 4615 1 14 . 1 1 44 44 PHE H H 44 7.659 7.659 8.570 -0.911 19331 4616 1 14 . 1 1 45 45 HIS N N 45 121.791 121.791 120.772 1.019 19331 4617 1 14 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.731 0.560 19331 4618 1 14 . 1 1 45 45 HIS C C 45 172.655 172.655 174.596 -1.941 19331 4619 1 14 . 1 1 45 45 HIS CA C 45 54.560 54.560 55.798 -1.238 19331 4620 1 14 . 1 1 45 45 HIS CB C 45 31.774 31.774 30.160 1.614 19331 4621 1 14 . 1 1 45 45 HIS H H 45 9.070 9.070 7.890 1.180 19331 4622 1 14 . 1 1 46 46 CYS N N 46 125.392 125.392 128.744 -3.352 19331 4623 1 14 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.358 0.184 19331 4624 1 14 . 1 1 46 46 CYS C C 46 176.525 176.525 173.588 2.937 19331 4625 1 14 . 1 1 46 46 CYS CA C 46 59.233 59.233 58.518 0.715 19331 4626 1 14 . 1 1 46 46 CYS CB C 46 29.948 29.948 26.366 3.582 19331 4627 1 14 . 1 1 46 46 CYS H H 46 9.189 9.189 8.215 0.974 19331 4628 1 14 . 1 1 47 47 ASN N N 47 128.827 128.827 125.773 3.054 19331 4629 1 14 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.781 -0.084 19331 4630 1 14 . 1 1 47 47 ASN C C 47 175.433 175.433 175.857 -0.424 19331 4631 1 14 . 1 1 47 47 ASN CA C 47 54.982 54.982 54.723 0.259 19331 4632 1 14 . 1 1 47 47 ASN CB C 47 38.237 38.237 39.292 -1.055 19331 4633 1 14 . 1 1 47 47 ASN H H 47 9.302 9.302 8.783 0.519 19331 4634 1 14 . 1 1 48 48 GLN N N 48 120.952 120.952 120.681 0.271 19331 4635 1 14 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.029 0.278 19331 4636 1 14 . 1 1 48 48 GLN C C 48 176.151 176.151 174.357 1.794 19331 4637 1 14 . 1 1 48 48 GLN CA C 48 57.832 57.832 56.875 0.957 19331 4638 1 14 . 1 1 48 48 GLN CB C 48 29.163 29.163 27.860 1.303 19331 4639 1 14 . 1 1 48 48 GLN H H 48 9.139 9.139 9.036 0.103 19331 4640 1 14 . 1 1 49 49 CYS N N 49 116.176 116.176 117.169 -0.993 19331 4641 1 14 . 1 1 49 49 CYS HA H 49 5.149 5.149 5.037 0.112 19331 4642 1 14 . 1 1 49 49 CYS C C 49 175.430 175.430 174.838 0.592 19331 4643 1 14 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.366 -1.017 19331 4644 1 14 . 1 1 49 49 CYS CB C 49 32.264 32.264 30.680 1.584 19331 4645 1 14 . 1 1 49 49 CYS H H 49 8.117 8.117 8.208 -0.091 19331 4646 1 14 . 1 1 50 50 GLY N N 50 111.724 111.724 110.205 1.519 19331 4647 1 14 . 1 1 50 50 GLY C C 50 173.758 173.758 173.156 0.602 19331 4648 1 14 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.181 0.710 19331 4649 1 14 . 1 1 50 50 GLY H H 50 8.142 8.142 7.855 0.287 19331 4650 1 14 . 1 1 51 51 ALA N N 51 126.041 126.041 122.101 3.940 19331 4651 1 14 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.467 -0.380 19331 4652 1 14 . 1 1 51 51 ALA C C 51 175.350 175.350 174.537 0.813 19331 4653 1 14 . 1 1 51 51 ALA CA C 51 53.505 53.505 50.857 2.648 19331 4654 1 14 . 1 1 51 51 ALA CB C 51 19.611 19.611 21.270 -1.659 19331 4655 1 14 . 1 1 51 51 ALA H H 51 8.420 8.420 7.493 0.927 19331 4656 1 14 . 1 1 52 52 SER N N 52 113.511 113.511 114.861 -1.350 19331 4657 1 14 . 1 1 52 52 SER HA H 52 5.255 5.255 4.774 0.481 19331 4658 1 14 . 1 1 52 52 SER C C 52 173.002 173.002 172.850 0.152 19331 4659 1 14 . 1 1 52 52 SER CA C 52 56.680 56.680 57.104 -0.424 19331 4660 1 14 . 1 1 52 52 SER CB C 52 65.958 65.958 65.374 0.584 19331 4661 1 14 . 1 1 52 52 SER H H 52 7.829 7.829 7.724 0.104 19331 4662 1 14 . 1 1 53 53 PHE N N 53 117.376 117.376 122.773 -5.397 19331 4663 1 14 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.928 -0.050 19331 4664 1 14 . 1 1 53 53 PHE C C 53 174.977 174.977 175.159 -0.182 19331 4665 1 14 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.272 0.284 19331 4666 1 14 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.208 1.667 19331 4667 1 14 . 1 1 53 53 PHE H H 53 8.802 8.802 8.146 0.656 19331 4668 1 14 . 1 1 54 54 THR N N 54 114.290 114.290 113.493 0.797 19331 4669 1 14 . 1 1 54 54 THR HA H 54 4.553 4.553 4.347 0.206 19331 4670 1 14 . 1 1 54 54 THR C C 54 174.229 174.229 174.279 -0.050 19331 4671 1 14 . 1 1 54 54 THR CA C 54 63.789 63.789 62.052 1.737 19331 4672 1 14 . 1 1 54 54 THR CB C 54 69.491 69.491 69.411 0.080 19331 4673 1 14 . 1 1 54 54 THR H H 54 9.129 9.129 8.369 0.760 19331 4674 1 14 . 1 1 55 55 GLN N N 55 117.684 117.684 119.395 -1.711 19331 4675 1 14 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.130 0.654 19331 4676 1 14 . 1 1 55 55 GLN C C 55 176.124 176.124 176.307 -0.183 19331 4677 1 14 . 1 1 55 55 GLN CA C 55 54.065 54.065 53.957 0.108 19331 4678 1 14 . 1 1 55 55 GLN CB C 55 31.444 31.444 30.082 1.362 19331 4679 1 14 . 1 1 55 55 GLN H H 55 7.563 7.563 7.775 -0.212 19331 4680 1 14 . 1 1 56 56 LYS N N 56 127.497 127.497 123.585 3.912 19331 4681 1 14 . 1 1 56 56 LYS HA H 56 2.791 2.791 4.321 -1.530 19331 4682 1 14 . 1 1 56 56 LYS C C 56 178.179 178.179 178.380 -0.201 19331 4683 1 14 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.515 -0.218 19331 4684 1 14 . 1 1 56 56 LYS CB C 56 31.734 31.734 32.314 -0.580 19331 4685 1 14 . 1 1 56 56 LYS H H 56 8.680 8.680 8.565 0.115 19331 4686 1 14 . 1 1 57 57 GLY N N 57 105.111 105.111 107.030 -1.919 19331 4687 1 14 . 1 1 57 57 GLY C C 57 176.204 176.204 175.880 0.324 19331 4688 1 14 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.047 0.023 19331 4689 1 14 . 1 1 57 57 GLY H H 57 8.900 8.900 8.589 0.311 19331 4690 1 14 . 1 1 58 58 ASN N N 58 117.732 117.732 119.718 -1.986 19331 4691 1 14 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.417 0.031 19331 4692 1 14 . 1 1 58 58 ASN C C 58 177.325 177.325 176.526 0.799 19331 4693 1 14 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.489 -0.577 19331 4694 1 14 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.888 -0.425 19331 4695 1 14 . 1 1 58 58 ASN H H 58 6.958 6.958 8.160 -1.202 19331 4696 1 14 . 1 1 59 59 LEU N N 59 123.027 123.027 122.507 0.520 19331 4697 1 14 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.775 -0.649 19331 4698 1 14 . 1 1 59 59 LEU C C 59 177.352 177.352 177.801 -0.449 19331 4699 1 14 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.734 -0.075 19331 4700 1 14 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.967 -2.057 19331 4701 1 14 . 1 1 59 59 LEU H H 59 6.885 6.885 7.422 -0.537 19331 4702 1 14 . 1 1 60 60 LEU N N 60 117.860 117.860 118.325 -0.465 19331 4703 1 14 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.897 -0.001 19331 4704 1 14 . 1 1 60 60 LEU C C 60 179.669 179.669 179.229 0.440 19331 4705 1 14 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.994 0.144 19331 4706 1 14 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.280 -0.648 19331 4707 1 14 . 1 1 60 60 LEU H H 60 8.078 8.078 8.346 -0.268 19331 4708 1 14 . 1 1 61 61 ARG N N 61 117.382 117.382 118.614 -1.232 19331 4709 1 14 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.863 0.065 19331 4710 1 14 . 1 1 61 61 ARG C C 61 177.752 177.752 178.631 -0.879 19331 4711 1 14 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.827 0.431 19331 4712 1 14 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.682 0.664 19331 4713 1 14 . 1 1 61 61 ARG H H 61 7.414 7.414 7.473 -0.059 19331 4714 1 14 . 1 1 62 62 HIS N N 62 119.118 119.118 118.449 0.669 19331 4715 1 14 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.427 -0.316 19331 4716 1 14 . 1 1 62 62 HIS C C 62 176.978 176.978 178.272 -1.294 19331 4717 1 14 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.477 0.090 19331 4718 1 14 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.474 -1.916 19331 4719 1 14 . 1 1 62 62 HIS H H 62 7.360 7.360 7.439 -0.079 19331 4720 1 14 . 1 1 63 63 ILE N N 63 116.662 116.662 115.941 0.721 19331 4721 1 14 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.043 -0.374 19331 4722 1 14 . 1 1 63 63 ILE C C 63 178.526 178.526 176.942 1.584 19331 4723 1 14 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.044 1.831 19331 4724 1 14 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.842 0.243 19331 4725 1 14 . 1 1 63 63 ILE H H 63 8.500 8.500 8.243 0.257 19331 4726 1 14 . 1 1 64 64 LYS N N 64 119.456 119.456 119.913 -0.457 19331 4727 1 14 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.102 -0.034 19331 4728 1 14 . 1 1 64 64 LYS C C 64 178.553 178.553 179.292 -0.739 19331 4729 1 14 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.094 -0.427 19331 4730 1 14 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.419 -0.415 19331 4731 1 14 . 1 1 64 64 LYS H H 64 7.174 7.174 7.603 -0.429 19331 4732 1 14 . 1 1 65 65 LEU N N 65 118.539 118.539 118.336 0.203 19331 4733 1 14 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.060 0.004 19331 4734 1 14 . 1 1 65 65 LEU C C 65 178.980 178.980 178.309 0.671 19331 4735 1 14 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.892 -0.285 19331 4736 1 14 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.764 -0.787 19331 4737 1 14 . 1 1 65 65 LEU H H 65 7.744 7.744 7.470 0.274 19331 4738 1 14 . 1 1 66 66 HIS N N 66 115.422 115.422 115.636 -0.214 19331 4739 1 14 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.489 0.244 19331 4740 1 14 . 1 1 66 66 HIS C C 66 175.671 175.671 175.159 0.512 19331 4741 1 14 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.065 -0.937 19331 4742 1 14 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.334 -1.762 19331 4743 1 14 . 1 1 66 66 HIS H H 66 7.357 7.357 7.788 -0.431 19331 4744 1 14 . 1 1 67 67 SER N N 67 115.047 115.047 113.068 1.979 19331 4745 1 14 . 1 1 67 67 SER HA H 67 4.459 4.459 4.724 -0.265 19331 4746 1 14 . 1 1 67 67 SER C C 67 175.003 175.003 172.987 2.016 19331 4747 1 14 . 1 1 67 67 SER CA C 67 59.246 59.246 57.318 1.928 19331 4748 1 14 . 1 1 67 67 SER CB C 67 63.693 63.693 65.176 -1.483 19331 4749 1 14 . 1 1 67 67 SER H H 67 7.859 7.859 7.491 0.368 19331 4750 1 14 . 1 1 68 68 GLY N N 68 110.437 110.437 106.920 3.517 19331 4751 1 14 . 1 1 68 68 GLY C C 68 173.812 173.812 173.712 0.100 19331 4752 1 14 . 1 1 68 68 GLY CA C 68 45.307 45.307 44.965 0.342 19331 4753 1 14 . 1 1 68 68 GLY H H 68 8.281 8.281 8.102 0.179 19331 4754 1 14 . 1 1 69 69 GLU N N 69 120.321 120.321 120.650 -0.329 19331 4755 1 14 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.036 0.244 19331 4756 1 14 . 1 1 69 69 GLU C C 69 176.124 176.124 176.066 0.058 19331 4757 1 14 . 1 1 69 69 GLU CA C 69 56.393 56.393 57.078 -0.685 19331 4758 1 14 . 1 1 69 69 GLU CB C 69 30.396 30.396 29.125 1.271 19331 4759 1 14 . 1 1 69 69 GLU H H 69 8.069 8.069 8.653 -0.584 19331 4760 1 14 . 1 1 70 70 LYS N N 70 123.278 123.278 120.789 2.489 19331 4761 1 14 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.461 0.133 19331 4762 1 14 . 1 1 70 70 LYS CA C 70 54.065 54.065 55.192 -1.127 19331 4763 1 14 . 1 1 70 70 LYS CB C 70 32.557 32.557 32.847 -0.290 19331 4764 1 14 . 1 1 70 70 LYS H H 70 8.349 8.349 8.075 0.274 19331 4765 1 14 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.430 -0.039 19331 4766 1 14 . 1 1 71 71 PRO C C 71 176.178 176.178 175.827 0.351 19331 4767 1 14 . 1 1 71 71 PRO CA C 71 63.143 63.143 63.079 0.064 19331 4768 1 14 . 1 1 71 71 PRO CB C 71 31.837 31.837 30.692 1.145 19331 4769 1 14 . 1 1 72 72 PHE N N 72 120.324 120.324 125.623 -5.299 19331 4770 1 14 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.670 -0.064 19331 4771 1 14 . 1 1 72 72 PHE C C 72 174.546 174.546 174.409 0.137 19331 4772 1 14 . 1 1 72 72 PHE CA C 72 57.543 57.543 57.073 0.470 19331 4773 1 14 . 1 1 72 72 PHE CB C 72 39.501 39.501 40.272 -0.771 19331 4774 1 14 . 1 1 72 72 PHE H H 72 8.177 8.177 8.083 0.094 19331 4775 1 15 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.588 -0.328 19331 4776 1 15 . 1 1 12 12 PRO C C 12 175.377 175.377 175.924 -0.547 19331 4777 1 15 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.654 0.731 19331 4778 1 15 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.166 -0.097 19331 4779 1 15 . 1 1 13 13 ASN N N 13 123.885 123.885 119.311 4.574 19331 4780 1 15 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.668 -0.204 19331 4781 1 15 . 1 1 13 13 ASN C C 13 176.178 176.178 175.684 0.494 19331 4782 1 15 . 1 1 13 13 ASN CA C 13 54.834 54.834 53.728 1.106 19331 4783 1 15 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.242 1.763 19331 4784 1 15 . 1 1 13 13 ASN H H 13 8.001 8.001 8.580 -0.579 19331 4785 1 15 . 1 1 14 14 GLY N N 14 113.831 113.831 110.569 3.262 19331 4786 1 15 . 1 1 14 14 GLY C C 14 174.152 174.152 173.534 0.618 19331 4787 1 15 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.215 0.150 19331 4788 1 15 . 1 1 14 14 GLY H H 14 8.367 8.367 8.535 -0.168 19331 4789 1 15 . 1 1 15 15 LYS N N 15 119.903 119.903 123.212 -3.309 19331 4790 1 15 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.496 -0.199 19331 4791 1 15 . 1 1 15 15 LYS C C 15 176.217 176.217 175.305 0.912 19331 4792 1 15 . 1 1 15 15 LYS CA C 15 56.921 56.921 56.839 0.082 19331 4793 1 15 . 1 1 15 15 LYS CB C 15 32.804 32.804 31.925 0.879 19331 4794 1 15 . 1 1 15 15 LYS H H 15 8.200 8.200 8.030 0.170 19331 4795 1 15 . 1 1 16 16 LEU N N 16 122.670 122.670 124.905 -2.235 19331 4796 1 15 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.512 -0.058 19331 4797 1 15 . 1 1 16 16 LEU C C 16 173.805 173.805 175.933 -2.128 19331 4798 1 15 . 1 1 16 16 LEU CA C 16 55.080 55.080 55.435 -0.355 19331 4799 1 15 . 1 1 16 16 LEU CB C 16 41.852 41.852 43.886 -2.034 19331 4800 1 15 . 1 1 16 16 LEU H H 16 8.394 8.394 7.720 0.674 19331 4801 1 15 . 1 1 17 17 LYS N N 17 120.445 120.445 120.416 0.029 19331 4802 1 15 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.055 0.822 19331 4803 1 15 . 1 1 17 17 LYS C C 17 175.777 175.777 174.972 0.805 19331 4804 1 15 . 1 1 17 17 LYS CA C 17 54.489 54.489 57.000 -2.511 19331 4805 1 15 . 1 1 17 17 LYS CB C 17 35.154 35.154 31.620 3.534 19331 4806 1 15 . 1 1 17 17 LYS H H 17 8.026 8.026 8.498 -0.472 19331 4807 1 15 . 1 1 18 18 CYS N N 18 127.176 127.176 119.491 7.685 19331 4808 1 15 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.608 -0.381 19331 4809 1 15 . 1 1 18 18 CYS C C 18 176.551 176.551 173.589 2.962 19331 4810 1 15 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.819 1.858 19331 4811 1 15 . 1 1 18 18 CYS CB C 18 29.821 29.821 28.328 1.493 19331 4812 1 15 . 1 1 18 18 CYS H H 18 9.071 9.071 7.935 1.136 19331 4813 1 15 . 1 1 19 19 ASP N N 19 130.419 130.419 125.674 4.745 19331 4814 1 15 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.729 -0.365 19331 4815 1 15 . 1 1 19 19 ASP C C 19 175.433 175.433 175.417 0.016 19331 4816 1 15 . 1 1 19 19 ASP CA C 19 55.671 55.671 53.714 1.958 19331 4817 1 15 . 1 1 19 19 ASP CB C 19 39.613 39.613 42.931 -3.318 19331 4818 1 15 . 1 1 19 19 ASP H H 19 9.137 9.137 8.093 1.044 19331 4819 1 15 . 1 1 20 20 VAL N N 20 123.067 123.067 119.643 3.424 19331 4820 1 15 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.274 -0.452 19331 4821 1 15 . 1 1 20 20 VAL C C 20 177.009 177.009 175.913 1.096 19331 4822 1 15 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.711 3.651 19331 4823 1 15 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.886 0.084 19331 4824 1 15 . 1 1 20 20 VAL H H 20 9.022 9.022 8.296 0.726 19331 4825 1 15 . 1 1 21 21 CYS N N 21 115.484 115.484 124.402 -8.918 19331 4826 1 15 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.548 0.567 19331 4827 1 15 . 1 1 21 21 CYS C C 21 176.178 176.178 175.899 0.279 19331 4828 1 15 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.819 -0.752 19331 4829 1 15 . 1 1 21 21 CYS CB C 21 33.096 33.096 27.205 5.891 19331 4830 1 15 . 1 1 21 21 CYS H H 21 8.092 8.092 8.605 -0.513 19331 4831 1 15 . 1 1 22 22 GLY N N 22 113.222 113.222 118.293 -5.071 19331 4832 1 15 . 1 1 22 22 GLY C C 22 173.028 173.028 173.280 -0.252 19331 4833 1 15 . 1 1 22 22 GLY CA C 22 45.741 45.741 45.089 0.652 19331 4834 1 15 . 1 1 22 22 GLY H H 22 7.931 7.931 8.898 -0.967 19331 4835 1 15 . 1 1 23 23 MET N N 23 122.930 122.930 121.786 1.144 19331 4836 1 15 . 1 1 23 23 MET HA H 23 4.075 4.075 4.593 -0.518 19331 4837 1 15 . 1 1 23 23 MET C C 23 174.950 174.950 174.841 0.109 19331 4838 1 15 . 1 1 23 23 MET CA C 23 57.226 57.226 55.523 1.703 19331 4839 1 15 . 1 1 23 23 MET CB C 23 33.750 33.750 34.494 -0.744 19331 4840 1 15 . 1 1 23 23 MET H H 23 8.276 8.276 7.858 0.418 19331 4841 1 15 . 1 1 24 24 VAL N N 24 126.800 126.800 122.535 4.265 19331 4842 1 15 . 1 1 24 24 VAL HA H 24 4.330 4.330 3.892 0.438 19331 4843 1 15 . 1 1 24 24 VAL C C 24 176.124 176.124 174.071 2.053 19331 4844 1 15 . 1 1 24 24 VAL CA C 24 62.581 62.581 63.800 -1.219 19331 4845 1 15 . 1 1 24 24 VAL CB C 24 31.843 31.843 30.288 1.555 19331 4846 1 15 . 1 1 24 24 VAL H H 24 8.466 8.466 8.830 -0.364 19331 4847 1 15 . 1 1 25 25 CYS N N 25 125.377 125.377 123.878 1.499 19331 4848 1 15 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.869 -0.140 19331 4849 1 15 . 1 1 25 25 CYS C C 25 173.829 173.829 175.303 -1.474 19331 4850 1 15 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.094 -0.584 19331 4851 1 15 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.416 3.233 19331 4852 1 15 . 1 1 25 25 CYS H H 25 8.720 8.720 8.441 0.279 19331 4853 1 15 . 1 1 26 26 ILE N N 26 119.435 119.435 121.281 -1.846 19331 4854 1 15 . 1 1 26 26 ILE HA H 26 4.170 4.170 5.110 -0.940 19331 4855 1 15 . 1 1 26 26 ILE C C 26 175.334 175.334 175.743 -0.409 19331 4856 1 15 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.014 0.932 19331 4857 1 15 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.336 -1.466 19331 4858 1 15 . 1 1 26 26 ILE H H 26 8.407 8.407 8.682 -0.275 19331 4859 1 15 . 1 1 27 27 GLY N N 27 109.455 109.455 109.295 0.160 19331 4860 1 15 . 1 1 27 27 GLY CA C 27 44.598 44.598 43.973 0.625 19331 4861 1 15 . 1 1 27 27 GLY H H 27 7.444 7.444 8.909 -1.465 19331 4862 1 15 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.497 -0.317 19331 4863 1 15 . 1 1 28 28 PRO C C 28 178.526 178.526 176.670 1.856 19331 4864 1 15 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.084 2.930 19331 4865 1 15 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.972 -1.224 19331 4866 1 15 . 1 1 29 29 ASN N N 29 118.871 118.871 122.471 -3.600 19331 4867 1 15 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.743 -0.169 19331 4868 1 15 . 1 1 29 29 ASN C C 29 176.925 176.925 176.017 0.908 19331 4869 1 15 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.386 4.068 19331 4870 1 15 . 1 1 29 29 ASN CB C 29 37.481 37.481 36.604 0.877 19331 4871 1 15 . 1 1 29 29 ASN H H 29 8.722 8.722 8.835 -0.113 19331 4872 1 15 . 1 1 30 30 VAL N N 30 120.904 120.904 117.326 3.578 19331 4873 1 15 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.792 -0.075 19331 4874 1 15 . 1 1 30 30 VAL C C 30 178.526 178.526 177.046 1.480 19331 4875 1 15 . 1 1 30 30 VAL CA C 30 65.881 65.881 65.258 0.623 19331 4876 1 15 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.179 0.661 19331 4877 1 15 . 1 1 30 30 VAL H H 30 7.475 7.475 7.551 -0.076 19331 4878 1 15 . 1 1 31 31 LEU N N 31 120.665 120.665 120.716 -0.051 19331 4879 1 15 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.126 0.341 19331 4880 1 15 . 1 1 31 31 LEU C C 31 177.379 177.379 178.711 -1.332 19331 4881 1 15 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.334 0.768 19331 4882 1 15 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.762 -0.395 19331 4883 1 15 . 1 1 31 31 LEU H H 31 7.853 7.853 7.938 -0.085 19331 4884 1 15 . 1 1 32 32 MET N N 32 117.671 117.671 118.988 -1.317 19331 4885 1 15 . 1 1 32 32 MET HA H 32 4.099 4.099 4.132 -0.033 19331 4886 1 15 . 1 1 32 32 MET C C 32 178.927 178.927 178.204 0.723 19331 4887 1 15 . 1 1 32 32 MET CA C 32 59.015 59.015 58.898 0.117 19331 4888 1 15 . 1 1 32 32 MET CB C 32 32.105 32.105 32.445 -0.340 19331 4889 1 15 . 1 1 32 32 MET H H 32 7.974 7.974 7.475 0.499 19331 4890 1 15 . 1 1 33 33 VAL N N 33 119.384 119.384 119.213 0.171 19331 4891 1 15 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.490 0.052 19331 4892 1 15 . 1 1 33 33 VAL C C 33 179.275 179.275 177.727 1.548 19331 4893 1 15 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.800 -0.147 19331 4894 1 15 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.327 0.488 19331 4895 1 15 . 1 1 33 33 VAL H H 33 7.747 7.747 8.091 -0.344 19331 4896 1 15 . 1 1 34 34 HIS N N 34 120.938 120.938 119.069 1.869 19331 4897 1 15 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.254 -0.034 19331 4898 1 15 . 1 1 34 34 HIS C C 34 178.486 178.486 177.252 1.234 19331 4899 1 15 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.992 -0.194 19331 4900 1 15 . 1 1 34 34 HIS CB C 34 28.036 28.036 30.034 -1.998 19331 4901 1 15 . 1 1 34 34 HIS H H 34 8.664 8.664 8.057 0.607 19331 4902 1 15 . 1 1 35 35 LYS N N 35 119.725 119.725 119.144 0.581 19331 4903 1 15 . 1 1 35 35 LYS HA H 35 3.716 3.716 3.940 -0.224 19331 4904 1 15 . 1 1 35 35 LYS C C 35 178.526 178.526 178.483 0.043 19331 4905 1 15 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.063 1.603 19331 4906 1 15 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.438 -1.010 19331 4907 1 15 . 1 1 35 35 LYS H H 35 9.034 9.034 8.008 1.026 19331 4908 1 15 . 1 1 36 36 ARG N N 36 118.491 118.491 117.487 1.004 19331 4909 1 15 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.156 -0.007 19331 4910 1 15 . 1 1 36 36 ARG C C 36 177.752 177.752 178.367 -0.615 19331 4911 1 15 . 1 1 36 36 ARG CA C 36 58.107 58.107 57.702 0.405 19331 4912 1 15 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.969 -0.255 19331 4913 1 15 . 1 1 36 36 ARG H H 36 7.458 7.458 7.989 -0.531 19331 4914 1 15 . 1 1 37 37 SER N N 37 113.811 113.811 114.538 -0.727 19331 4915 1 15 . 1 1 37 37 SER HA H 37 4.202 4.202 4.238 -0.036 19331 4916 1 15 . 1 1 37 37 SER C C 37 174.576 174.576 175.086 -0.510 19331 4917 1 15 . 1 1 37 37 SER CA C 37 60.412 60.412 60.706 -0.294 19331 4918 1 15 . 1 1 37 37 SER CB C 37 62.129 62.129 63.053 -0.924 19331 4919 1 15 . 1 1 37 37 SER H H 37 7.771 7.771 7.738 0.033 19331 4920 1 15 . 1 1 38 38 HIS N N 38 118.829 118.829 121.391 -2.562 19331 4921 1 15 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.500 0.494 19331 4922 1 15 . 1 1 38 38 HIS C C 38 174.977 174.977 175.068 -0.091 19331 4923 1 15 . 1 1 38 38 HIS CA C 38 54.798 54.798 56.207 -1.409 19331 4924 1 15 . 1 1 38 38 HIS CB C 38 28.317 28.317 28.550 -0.233 19331 4925 1 15 . 1 1 38 38 HIS H H 38 7.265 7.265 7.563 -0.298 19331 4926 1 15 . 1 1 39 39 THR N N 39 113.289 113.289 120.011 -6.722 19331 4927 1 15 . 1 1 39 39 THR HA H 39 4.353 4.353 4.276 0.077 19331 4928 1 15 . 1 1 39 39 THR C C 39 174.977 174.977 175.039 -0.062 19331 4929 1 15 . 1 1 39 39 THR CA C 39 62.252 62.252 63.432 -1.180 19331 4930 1 15 . 1 1 39 39 THR CB C 39 69.773 69.773 69.803 -0.030 19331 4931 1 15 . 1 1 39 39 THR H H 39 7.814 7.814 7.903 -0.089 19331 4932 1 15 . 1 1 40 40 GLY N N 40 110.879 110.879 109.156 1.723 19331 4933 1 15 . 1 1 40 40 GLY C C 40 173.802 173.802 172.704 1.098 19331 4934 1 15 . 1 1 40 40 GLY CA C 40 45.173 45.173 44.461 0.712 19331 4935 1 15 . 1 1 40 40 GLY H H 40 8.425 8.425 7.807 0.618 19331 4936 1 15 . 1 1 41 41 GLU N N 41 120.081 120.081 120.696 -0.615 19331 4937 1 15 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.519 -0.297 19331 4938 1 15 . 1 1 41 41 GLU C C 41 176.151 176.151 176.209 -0.058 19331 4939 1 15 . 1 1 41 41 GLU CA C 41 56.710 56.710 55.819 0.891 19331 4940 1 15 . 1 1 41 41 GLU CB C 41 30.550 30.550 30.351 0.199 19331 4941 1 15 . 1 1 41 41 GLU H H 41 8.127 8.127 8.137 -0.010 19331 4942 1 15 . 1 1 42 42 ARG N N 42 121.379 121.379 121.577 -0.198 19331 4943 1 15 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.533 -0.003 19331 4944 1 15 . 1 1 42 42 ARG CA C 42 53.378 53.378 54.100 -0.722 19331 4945 1 15 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.086 -0.061 19331 4946 1 15 . 1 1 42 42 ARG H H 42 8.370 8.370 8.292 0.078 19331 4947 1 15 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.091 0.169 19331 4948 1 15 . 1 1 43 43 PRO C C 43 176.151 176.151 176.379 -0.228 19331 4949 1 15 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.285 1.367 19331 4950 1 15 . 1 1 43 43 PRO CB C 43 32.069 32.069 32.026 0.043 19331 4951 1 15 . 1 1 44 44 PHE N N 44 116.589 116.589 119.435 -2.846 19331 4952 1 15 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.558 0.287 19331 4953 1 15 . 1 1 44 44 PHE C C 44 174.603 174.603 175.110 -0.507 19331 4954 1 15 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.470 -0.390 19331 4955 1 15 . 1 1 44 44 PHE CB C 44 39.654 39.654 39.835 -0.181 19331 4956 1 15 . 1 1 44 44 PHE H H 44 7.659 7.659 7.954 -0.295 19331 4957 1 15 . 1 1 45 45 HIS N N 45 121.791 121.791 115.382 6.409 19331 4958 1 15 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.165 0.126 19331 4959 1 15 . 1 1 45 45 HIS C C 45 172.655 172.655 174.194 -1.539 19331 4960 1 15 . 1 1 45 45 HIS CA C 45 54.560 54.560 54.519 0.041 19331 4961 1 15 . 1 1 45 45 HIS CB C 45 31.774 31.774 32.421 -0.647 19331 4962 1 15 . 1 1 45 45 HIS H H 45 9.070 9.070 8.203 0.867 19331 4963 1 15 . 1 1 46 46 CYS N N 46 125.392 125.392 120.871 4.521 19331 4964 1 15 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.409 0.133 19331 4965 1 15 . 1 1 46 46 CYS C C 46 176.525 176.525 174.474 2.051 19331 4966 1 15 . 1 1 46 46 CYS CA C 46 59.233 59.233 59.942 -0.709 19331 4967 1 15 . 1 1 46 46 CYS CB C 46 29.948 29.948 28.971 0.977 19331 4968 1 15 . 1 1 46 46 CYS H H 46 9.189 9.189 8.835 0.354 19331 4969 1 15 . 1 1 47 47 ASN N N 47 128.827 128.827 116.934 11.893 19331 4970 1 15 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.980 -0.283 19331 4971 1 15 . 1 1 47 47 ASN C C 47 175.433 175.433 175.167 0.266 19331 4972 1 15 . 1 1 47 47 ASN CA C 47 54.982 54.982 54.005 0.977 19331 4973 1 15 . 1 1 47 47 ASN CB C 47 38.237 38.237 40.398 -2.161 19331 4974 1 15 . 1 1 47 47 ASN H H 47 9.302 9.302 9.010 0.292 19331 4975 1 15 . 1 1 48 48 GLN N N 48 120.952 120.952 117.693 3.259 19331 4976 1 15 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.685 -0.378 19331 4977 1 15 . 1 1 48 48 GLN C C 48 176.151 176.151 176.680 -0.529 19331 4978 1 15 . 1 1 48 48 GLN CA C 48 57.832 57.832 56.170 1.662 19331 4979 1 15 . 1 1 48 48 GLN CB C 48 29.163 29.163 30.148 -0.985 19331 4980 1 15 . 1 1 48 48 GLN H H 48 9.139 9.139 8.787 0.352 19331 4981 1 15 . 1 1 49 49 CYS N N 49 116.176 116.176 117.818 -1.642 19331 4982 1 15 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.744 0.405 19331 4983 1 15 . 1 1 49 49 CYS C C 49 175.430 175.430 176.372 -0.942 19331 4984 1 15 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.051 -0.702 19331 4985 1 15 . 1 1 49 49 CYS CB C 49 32.264 32.264 26.245 6.019 19331 4986 1 15 . 1 1 49 49 CYS H H 49 8.117 8.117 8.621 -0.504 19331 4987 1 15 . 1 1 50 50 GLY N N 50 111.724 111.724 109.096 2.628 19331 4988 1 15 . 1 1 50 50 GLY C C 50 173.758 173.758 173.607 0.151 19331 4989 1 15 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.058 0.833 19331 4990 1 15 . 1 1 50 50 GLY H H 50 8.142 8.142 8.553 -0.411 19331 4991 1 15 . 1 1 51 51 ALA N N 51 126.041 126.041 122.453 3.588 19331 4992 1 15 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.465 -0.378 19331 4993 1 15 . 1 1 51 51 ALA C C 51 175.350 175.350 175.472 -0.122 19331 4994 1 15 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.044 2.461 19331 4995 1 15 . 1 1 51 51 ALA CB C 51 19.611 19.611 20.417 -0.806 19331 4996 1 15 . 1 1 51 51 ALA H H 51 8.420 8.420 7.876 0.544 19331 4997 1 15 . 1 1 52 52 SER N N 52 113.511 113.511 118.016 -4.505 19331 4998 1 15 . 1 1 52 52 SER HA H 52 5.255 5.255 4.829 0.426 19331 4999 1 15 . 1 1 52 52 SER C C 52 173.002 173.002 173.123 -0.121 19331 5000 1 15 . 1 1 52 52 SER CA C 52 56.680 56.680 56.914 -0.234 19331 5001 1 15 . 1 1 52 52 SER CB C 52 65.958 65.958 64.286 1.672 19331 5002 1 15 . 1 1 52 52 SER H H 52 7.829 7.829 8.239 -0.410 19331 5003 1 15 . 1 1 53 53 PHE N N 53 117.376 117.376 126.140 -8.764 19331 5004 1 15 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.770 0.108 19331 5005 1 15 . 1 1 53 53 PHE C C 53 174.977 174.977 175.700 -0.723 19331 5006 1 15 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.622 -0.066 19331 5007 1 15 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.358 1.516 19331 5008 1 15 . 1 1 53 53 PHE H H 53 8.802 8.802 8.299 0.503 19331 5009 1 15 . 1 1 54 54 THR N N 54 114.290 114.290 115.923 -1.633 19331 5010 1 15 . 1 1 54 54 THR HA H 54 4.553 4.553 4.299 0.254 19331 5011 1 15 . 1 1 54 54 THR C C 54 174.229 174.229 174.687 -0.458 19331 5012 1 15 . 1 1 54 54 THR CA C 54 63.789 63.789 62.520 1.269 19331 5013 1 15 . 1 1 54 54 THR CB C 54 69.491 69.491 68.853 0.638 19331 5014 1 15 . 1 1 54 54 THR H H 54 9.129 9.129 8.676 0.453 19331 5015 1 15 . 1 1 55 55 GLN N N 55 117.684 117.684 121.266 -3.582 19331 5016 1 15 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.512 0.272 19331 5017 1 15 . 1 1 55 55 GLN C C 55 176.124 176.124 176.710 -0.586 19331 5018 1 15 . 1 1 55 55 GLN CA C 55 54.065 54.065 55.215 -1.150 19331 5019 1 15 . 1 1 55 55 GLN CB C 55 31.444 31.444 28.711 2.733 19331 5020 1 15 . 1 1 55 55 GLN H H 55 7.563 7.563 8.501 -0.938 19331 5021 1 15 . 1 1 56 56 LYS N N 56 127.497 127.497 125.901 1.596 19331 5022 1 15 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.829 -1.038 19331 5023 1 15 . 1 1 56 56 LYS C C 56 178.179 178.179 178.631 -0.452 19331 5024 1 15 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.642 -0.346 19331 5025 1 15 . 1 1 56 56 LYS CB C 56 31.734 31.734 32.121 -0.387 19331 5026 1 15 . 1 1 56 56 LYS H H 56 8.680 8.680 8.944 -0.264 19331 5027 1 15 . 1 1 57 57 GLY N N 57 105.111 105.111 107.638 -2.527 19331 5028 1 15 . 1 1 57 57 GLY C C 57 176.204 176.204 176.080 0.124 19331 5029 1 15 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.111 -0.042 19331 5030 1 15 . 1 1 57 57 GLY H H 57 8.900 8.900 8.634 0.266 19331 5031 1 15 . 1 1 58 58 ASN N N 58 117.732 117.732 119.750 -2.018 19331 5032 1 15 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.534 -0.086 19331 5033 1 15 . 1 1 58 58 ASN C C 58 177.325 177.325 176.739 0.586 19331 5034 1 15 . 1 1 58 58 ASN CA C 58 54.912 54.912 54.898 0.014 19331 5035 1 15 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.867 -0.405 19331 5036 1 15 . 1 1 58 58 ASN H H 58 6.958 6.958 8.206 -1.248 19331 5037 1 15 . 1 1 59 59 LEU N N 59 123.027 123.027 123.024 0.003 19331 5038 1 15 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.557 -0.431 19331 5039 1 15 . 1 1 59 59 LEU C C 59 177.352 177.352 177.559 -0.207 19331 5040 1 15 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.927 -0.268 19331 5041 1 15 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.849 -1.939 19331 5042 1 15 . 1 1 59 59 LEU H H 59 6.885 6.885 7.905 -1.020 19331 5043 1 15 . 1 1 60 60 LEU N N 60 117.860 117.860 117.581 0.279 19331 5044 1 15 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.809 0.087 19331 5045 1 15 . 1 1 60 60 LEU C C 60 179.669 179.669 179.177 0.492 19331 5046 1 15 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.763 0.375 19331 5047 1 15 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.241 -0.609 19331 5048 1 15 . 1 1 60 60 LEU H H 60 8.078 8.078 8.287 -0.209 19331 5049 1 15 . 1 1 61 61 ARG N N 61 117.382 117.382 118.752 -1.370 19331 5050 1 15 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.859 0.069 19331 5051 1 15 . 1 1 61 61 ARG C C 61 177.752 177.752 178.024 -0.272 19331 5052 1 15 . 1 1 61 61 ARG CA C 61 59.258 59.258 59.563 -0.305 19331 5053 1 15 . 1 1 61 61 ARG CB C 61 30.346 30.346 30.114 0.232 19331 5054 1 15 . 1 1 61 61 ARG H H 61 7.414 7.414 7.498 -0.084 19331 5055 1 15 . 1 1 62 62 HIS N N 62 119.118 119.118 119.478 -0.360 19331 5056 1 15 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.269 -0.158 19331 5057 1 15 . 1 1 62 62 HIS C C 62 176.978 176.978 177.807 -0.829 19331 5058 1 15 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.831 -0.265 19331 5059 1 15 . 1 1 62 62 HIS CB C 62 28.558 28.558 29.917 -1.359 19331 5060 1 15 . 1 1 62 62 HIS H H 62 7.360 7.360 7.632 -0.272 19331 5061 1 15 . 1 1 63 63 ILE N N 63 116.662 116.662 114.729 1.933 19331 5062 1 15 . 1 1 63 63 ILE HA H 63 3.669 3.669 3.568 0.101 19331 5063 1 15 . 1 1 63 63 ILE C C 63 178.526 178.526 177.597 0.929 19331 5064 1 15 . 1 1 63 63 ILE CA C 63 65.875 65.875 63.716 2.159 19331 5065 1 15 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.730 0.355 19331 5066 1 15 . 1 1 63 63 ILE H H 63 8.500 8.500 8.446 0.054 19331 5067 1 15 . 1 1 64 64 LYS N N 64 119.456 119.456 121.732 -2.276 19331 5068 1 15 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.021 0.047 19331 5069 1 15 . 1 1 64 64 LYS C C 64 178.553 178.553 178.988 -0.435 19331 5070 1 15 . 1 1 64 64 LYS CA C 64 58.667 58.667 58.690 -0.023 19331 5071 1 15 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.021 -0.017 19331 5072 1 15 . 1 1 64 64 LYS H H 64 7.174 7.174 7.465 -0.291 19331 5073 1 15 . 1 1 65 65 LEU N N 65 118.539 118.539 117.294 1.245 19331 5074 1 15 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.012 0.052 19331 5075 1 15 . 1 1 65 65 LEU C C 65 178.980 178.980 178.320 0.660 19331 5076 1 15 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.338 0.269 19331 5077 1 15 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.642 -0.665 19331 5078 1 15 . 1 1 65 65 LEU H H 65 7.744 7.744 7.701 0.043 19331 5079 1 15 . 1 1 66 66 HIS N N 66 115.422 115.422 116.609 -1.187 19331 5080 1 15 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.321 0.412 19331 5081 1 15 . 1 1 66 66 HIS C C 66 175.671 175.671 175.344 0.327 19331 5082 1 15 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.630 -1.502 19331 5083 1 15 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.410 -1.837 19331 5084 1 15 . 1 1 66 66 HIS H H 66 7.357 7.357 7.907 -0.550 19331 5085 1 15 . 1 1 67 67 SER N N 67 115.047 115.047 110.684 4.363 19331 5086 1 15 . 1 1 67 67 SER HA H 67 4.459 4.459 4.631 -0.172 19331 5087 1 15 . 1 1 67 67 SER C C 67 175.003 175.003 173.705 1.298 19331 5088 1 15 . 1 1 67 67 SER CA C 67 59.246 59.246 57.508 1.738 19331 5089 1 15 . 1 1 67 67 SER CB C 67 63.693 63.693 65.462 -1.769 19331 5090 1 15 . 1 1 67 67 SER H H 67 7.859 7.859 7.822 0.037 19331 5091 1 15 . 1 1 68 68 GLY N N 68 110.437 110.437 108.446 1.991 19331 5092 1 15 . 1 1 68 68 GLY C C 68 173.812 173.812 174.102 -0.290 19331 5093 1 15 . 1 1 68 68 GLY CA C 68 45.307 45.307 44.201 1.106 19331 5094 1 15 . 1 1 68 68 GLY H H 68 8.281 8.281 8.305 -0.024 19331 5095 1 15 . 1 1 69 69 GLU N N 69 120.321 120.321 117.118 3.203 19331 5096 1 15 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.136 0.144 19331 5097 1 15 . 1 1 69 69 GLU C C 69 176.124 176.124 175.281 0.843 19331 5098 1 15 . 1 1 69 69 GLU CA C 69 56.393 56.393 57.019 -0.626 19331 5099 1 15 . 1 1 69 69 GLU CB C 69 30.396 30.396 29.117 1.279 19331 5100 1 15 . 1 1 69 69 GLU H H 69 8.069 8.069 8.257 -0.188 19331 5101 1 15 . 1 1 70 70 LYS N N 70 123.278 123.278 119.194 4.084 19331 5102 1 15 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.566 0.028 19331 5103 1 15 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.679 0.386 19331 5104 1 15 . 1 1 70 70 LYS CB C 70 32.557 32.557 33.124 -0.568 19331 5105 1 15 . 1 1 70 70 LYS H H 70 8.349 8.349 7.561 0.788 19331 5106 1 15 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.325 0.066 19331 5107 1 15 . 1 1 71 71 PRO C C 71 176.178 176.178 176.216 -0.038 19331 5108 1 15 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.877 0.267 19331 5109 1 15 . 1 1 71 71 PRO CB C 71 31.837 31.837 32.109 -0.272 19331 5110 1 15 . 1 1 72 72 PHE N N 72 120.324 120.324 121.669 -1.345 19331 5111 1 15 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.421 0.185 19331 5112 1 15 . 1 1 72 72 PHE C C 72 174.546 174.546 175.563 -1.017 19331 5113 1 15 . 1 1 72 72 PHE CA C 72 57.543 57.543 59.542 -1.999 19331 5114 1 15 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.722 -0.221 19331 5115 1 15 . 1 1 72 72 PHE H H 72 8.177 8.177 8.384 -0.207 19331 5116 1 16 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.902 -0.642 19331 5117 1 16 . 1 1 12 12 PRO C C 12 175.377 175.377 175.406 -0.029 19331 5118 1 16 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.472 0.913 19331 5119 1 16 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.831 -0.763 19331 5120 1 16 . 1 1 13 13 ASN N N 13 123.885 123.885 116.211 7.674 19331 5121 1 16 . 1 1 13 13 ASN HA H 13 4.464 4.464 5.111 -0.647 19331 5122 1 16 . 1 1 13 13 ASN C C 13 176.178 176.178 173.893 2.285 19331 5123 1 16 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.812 2.022 19331 5124 1 16 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.352 1.653 19331 5125 1 16 . 1 1 13 13 ASN H H 13 8.001 8.001 8.892 -0.891 19331 5126 1 16 . 1 1 14 14 GLY N N 14 113.831 113.831 111.118 2.713 19331 5127 1 16 . 1 1 14 14 GLY C C 14 174.152 174.152 173.215 0.937 19331 5128 1 16 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.061 0.304 19331 5129 1 16 . 1 1 14 14 GLY H H 14 8.367 8.367 8.197 0.170 19331 5130 1 16 . 1 1 15 15 LYS N N 15 119.903 119.903 122.209 -2.306 19331 5131 1 16 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.593 -0.296 19331 5132 1 16 . 1 1 15 15 LYS C C 15 176.217 176.217 176.123 0.094 19331 5133 1 16 . 1 1 15 15 LYS CA C 15 56.921 56.921 56.245 0.676 19331 5134 1 16 . 1 1 15 15 LYS CB C 15 32.804 32.804 32.967 -0.163 19331 5135 1 16 . 1 1 15 15 LYS H H 15 8.200 8.200 8.109 0.091 19331 5136 1 16 . 1 1 16 16 LEU N N 16 122.670 122.670 122.393 0.277 19331 5137 1 16 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.810 -0.356 19331 5138 1 16 . 1 1 16 16 LEU C C 16 173.805 173.805 175.340 -1.535 19331 5139 1 16 . 1 1 16 16 LEU CA C 16 55.080 55.080 53.636 1.444 19331 5140 1 16 . 1 1 16 16 LEU CB C 16 41.852 41.852 43.816 -1.964 19331 5141 1 16 . 1 1 16 16 LEU H H 16 8.394 8.394 8.321 0.073 19331 5142 1 16 . 1 1 17 17 LYS N N 17 120.445 120.445 121.575 -1.130 19331 5143 1 16 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.670 0.207 19331 5144 1 16 . 1 1 17 17 LYS C C 17 175.777 175.777 175.361 0.416 19331 5145 1 16 . 1 1 17 17 LYS CA C 17 54.489 54.489 56.046 -1.557 19331 5146 1 16 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.798 1.356 19331 5147 1 16 . 1 1 17 17 LYS H H 17 8.026 8.026 8.429 -0.403 19331 5148 1 16 . 1 1 18 18 CYS N N 18 127.176 127.176 123.085 4.091 19331 5149 1 16 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.869 -0.642 19331 5150 1 16 . 1 1 18 18 CYS C C 18 176.551 176.551 173.740 2.811 19331 5151 1 16 . 1 1 18 18 CYS CA C 18 60.677 60.677 57.872 2.805 19331 5152 1 16 . 1 1 18 18 CYS CB C 18 29.821 29.821 29.178 0.643 19331 5153 1 16 . 1 1 18 18 CYS H H 18 9.071 9.071 8.715 0.356 19331 5154 1 16 . 1 1 19 19 ASP N N 19 130.419 130.419 123.446 6.973 19331 5155 1 16 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.814 -0.450 19331 5156 1 16 . 1 1 19 19 ASP C C 19 175.433 175.433 174.265 1.168 19331 5157 1 16 . 1 1 19 19 ASP CA C 19 55.671 55.671 53.903 1.768 19331 5158 1 16 . 1 1 19 19 ASP CB C 19 39.613 39.613 42.160 -2.546 19331 5159 1 16 . 1 1 19 19 ASP H H 19 9.137 9.137 8.332 0.805 19331 5160 1 16 . 1 1 20 20 VAL N N 20 123.067 123.067 119.184 3.883 19331 5161 1 16 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.342 -0.520 19331 5162 1 16 . 1 1 20 20 VAL C C 20 177.009 177.009 174.036 2.973 19331 5163 1 16 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.590 3.772 19331 5164 1 16 . 1 1 20 20 VAL CB C 20 32.970 32.970 33.798 -0.828 19331 5165 1 16 . 1 1 20 20 VAL H H 20 9.022 9.022 8.311 0.711 19331 5166 1 16 . 1 1 21 21 CYS N N 21 115.484 115.484 124.089 -8.605 19331 5167 1 16 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.871 0.244 19331 5168 1 16 . 1 1 21 21 CYS C C 21 176.178 176.178 174.468 1.710 19331 5169 1 16 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.075 -0.008 19331 5170 1 16 . 1 1 21 21 CYS CB C 21 33.096 33.096 30.007 3.089 19331 5171 1 16 . 1 1 21 21 CYS H H 21 8.092 8.092 8.629 -0.537 19331 5172 1 16 . 1 1 22 22 GLY N N 22 113.222 113.222 111.850 1.372 19331 5173 1 16 . 1 1 22 22 GLY C C 22 173.028 173.028 173.623 -0.595 19331 5174 1 16 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.993 0.748 19331 5175 1 16 . 1 1 22 22 GLY H H 22 7.931 7.931 8.347 -0.416 19331 5176 1 16 . 1 1 23 23 MET N N 23 122.930 122.930 118.817 4.113 19331 5177 1 16 . 1 1 23 23 MET HA H 23 4.075 4.075 5.020 -0.945 19331 5178 1 16 . 1 1 23 23 MET C C 23 174.950 174.950 174.883 0.067 19331 5179 1 16 . 1 1 23 23 MET CA C 23 57.226 57.226 54.511 2.716 19331 5180 1 16 . 1 1 23 23 MET CB C 23 33.750 33.750 35.751 -2.001 19331 5181 1 16 . 1 1 23 23 MET H H 23 8.276 8.276 8.526 -0.250 19331 5182 1 16 . 1 1 24 24 VAL N N 24 126.800 126.800 120.209 6.591 19331 5183 1 16 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.464 -0.134 19331 5184 1 16 . 1 1 24 24 VAL C C 24 176.124 176.124 173.998 2.126 19331 5185 1 16 . 1 1 24 24 VAL CA C 24 62.581 62.581 61.902 0.679 19331 5186 1 16 . 1 1 24 24 VAL CB C 24 31.843 31.843 33.703 -1.860 19331 5187 1 16 . 1 1 24 24 VAL H H 24 8.466 8.466 8.459 0.007 19331 5188 1 16 . 1 1 25 25 CYS N N 25 125.377 125.377 126.808 -1.431 19331 5189 1 16 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.887 -0.158 19331 5190 1 16 . 1 1 25 25 CYS C C 25 173.829 173.829 174.367 -0.538 19331 5191 1 16 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.507 -0.997 19331 5192 1 16 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.855 2.793 19331 5193 1 16 . 1 1 25 25 CYS H H 25 8.720 8.720 8.368 0.352 19331 5194 1 16 . 1 1 26 26 ILE N N 26 119.435 119.435 124.638 -5.203 19331 5195 1 16 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.455 -0.285 19331 5196 1 16 . 1 1 26 26 ILE C C 26 175.334 175.334 175.983 -0.649 19331 5197 1 16 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.245 0.701 19331 5198 1 16 . 1 1 26 26 ILE CB C 26 37.870 37.870 38.633 -0.763 19331 5199 1 16 . 1 1 26 26 ILE H H 26 8.407 8.407 8.241 0.166 19331 5200 1 16 . 1 1 27 27 GLY N N 27 109.455 109.455 110.562 -1.107 19331 5201 1 16 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.550 0.048 19331 5202 1 16 . 1 1 27 27 GLY H H 27 7.444 7.444 8.538 -1.094 19331 5203 1 16 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.485 -0.305 19331 5204 1 16 . 1 1 28 28 PRO C C 28 178.526 178.526 176.551 1.975 19331 5205 1 16 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.313 2.701 19331 5206 1 16 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.785 -1.037 19331 5207 1 16 . 1 1 29 29 ASN N N 29 118.871 118.871 121.815 -2.944 19331 5208 1 16 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.738 -0.164 19331 5209 1 16 . 1 1 29 29 ASN C C 29 176.925 176.925 176.763 0.162 19331 5210 1 16 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.378 4.076 19331 5211 1 16 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.702 -0.221 19331 5212 1 16 . 1 1 29 29 ASN H H 29 8.722 8.722 8.629 0.093 19331 5213 1 16 . 1 1 30 30 VAL N N 30 120.904 120.904 119.857 1.047 19331 5214 1 16 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.852 -0.135 19331 5215 1 16 . 1 1 30 30 VAL C C 30 178.526 178.526 176.914 1.612 19331 5216 1 16 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.448 1.433 19331 5217 1 16 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.928 -0.088 19331 5218 1 16 . 1 1 30 30 VAL H H 30 7.475 7.475 7.870 -0.395 19331 5219 1 16 . 1 1 31 31 LEU N N 31 120.665 120.665 122.176 -1.511 19331 5220 1 16 . 1 1 31 31 LEU HA H 31 4.467 4.467 3.977 0.490 19331 5221 1 16 . 1 1 31 31 LEU C C 31 177.379 177.379 178.388 -1.009 19331 5222 1 16 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.591 0.511 19331 5223 1 16 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.800 -0.433 19331 5224 1 16 . 1 1 31 31 LEU H H 31 7.853 7.853 7.899 -0.046 19331 5225 1 16 . 1 1 32 32 MET N N 32 117.671 117.671 117.635 0.036 19331 5226 1 16 . 1 1 32 32 MET HA H 32 4.099 4.099 4.166 -0.067 19331 5227 1 16 . 1 1 32 32 MET C C 32 178.927 178.927 177.806 1.121 19331 5228 1 16 . 1 1 32 32 MET CA C 32 59.015 59.015 58.134 0.881 19331 5229 1 16 . 1 1 32 32 MET CB C 32 32.105 32.105 31.958 0.147 19331 5230 1 16 . 1 1 32 32 MET H H 32 7.974 7.974 7.916 0.058 19331 5231 1 16 . 1 1 33 33 VAL N N 33 119.384 119.384 118.221 1.163 19331 5232 1 16 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.547 -0.005 19331 5233 1 16 . 1 1 33 33 VAL C C 33 179.275 179.275 177.827 1.448 19331 5234 1 16 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.537 0.116 19331 5235 1 16 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.435 0.380 19331 5236 1 16 . 1 1 33 33 VAL H H 33 7.747 7.747 7.327 0.420 19331 5237 1 16 . 1 1 34 34 HIS N N 34 120.938 120.938 118.855 2.083 19331 5238 1 16 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.171 0.049 19331 5239 1 16 . 1 1 34 34 HIS C C 34 178.486 178.486 176.901 1.585 19331 5240 1 16 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.899 -0.101 19331 5241 1 16 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.913 -1.877 19331 5242 1 16 . 1 1 34 34 HIS H H 34 8.664 8.664 8.025 0.639 19331 5243 1 16 . 1 1 35 35 LYS N N 35 119.725 119.725 118.396 1.329 19331 5244 1 16 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.096 -0.380 19331 5245 1 16 . 1 1 35 35 LYS C C 35 178.526 178.526 179.332 -0.806 19331 5246 1 16 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.211 1.455 19331 5247 1 16 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.657 -1.229 19331 5248 1 16 . 1 1 35 35 LYS H H 35 9.034 9.034 8.203 0.831 19331 5249 1 16 . 1 1 36 36 ARG N N 36 118.491 118.491 119.341 -0.850 19331 5250 1 16 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.146 0.003 19331 5251 1 16 . 1 1 36 36 ARG C C 36 177.752 177.752 178.850 -1.098 19331 5252 1 16 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.033 0.074 19331 5253 1 16 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.396 0.318 19331 5254 1 16 . 1 1 36 36 ARG H H 36 7.458 7.458 7.858 -0.400 19331 5255 1 16 . 1 1 37 37 SER N N 37 113.811 113.811 114.427 -0.616 19331 5256 1 16 . 1 1 37 37 SER HA H 37 4.202 4.202 4.238 -0.036 19331 5257 1 16 . 1 1 37 37 SER C C 37 174.576 174.576 174.219 0.357 19331 5258 1 16 . 1 1 37 37 SER CA C 37 60.412 60.412 61.422 -1.010 19331 5259 1 16 . 1 1 37 37 SER CB C 37 62.129 62.129 63.081 -0.952 19331 5260 1 16 . 1 1 37 37 SER H H 37 7.771 7.771 8.090 -0.319 19331 5261 1 16 . 1 1 38 38 HIS N N 38 118.829 118.829 115.962 2.867 19331 5262 1 16 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.734 0.260 19331 5263 1 16 . 1 1 38 38 HIS C C 38 174.977 174.977 175.387 -0.410 19331 5264 1 16 . 1 1 38 38 HIS CA C 38 54.798 54.798 55.724 -0.926 19331 5265 1 16 . 1 1 38 38 HIS CB C 38 28.317 28.317 31.463 -3.146 19331 5266 1 16 . 1 1 38 38 HIS H H 38 7.265 7.265 7.537 -0.272 19331 5267 1 16 . 1 1 39 39 THR N N 39 113.289 113.289 114.863 -1.574 19331 5268 1 16 . 1 1 39 39 THR HA H 39 4.353 4.353 4.170 0.183 19331 5269 1 16 . 1 1 39 39 THR C C 39 174.977 174.977 175.050 -0.073 19331 5270 1 16 . 1 1 39 39 THR CA C 39 62.252 62.252 63.826 -1.574 19331 5271 1 16 . 1 1 39 39 THR CB C 39 69.773 69.773 69.301 0.472 19331 5272 1 16 . 1 1 39 39 THR H H 39 7.814 7.814 7.682 0.132 19331 5273 1 16 . 1 1 40 40 GLY N N 40 110.879 110.879 109.282 1.597 19331 5274 1 16 . 1 1 40 40 GLY C C 40 173.802 173.802 172.684 1.118 19331 5275 1 16 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.152 0.021 19331 5276 1 16 . 1 1 40 40 GLY H H 40 8.425 8.425 7.772 0.653 19331 5277 1 16 . 1 1 41 41 GLU N N 41 120.081 120.081 124.118 -4.037 19331 5278 1 16 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.281 -0.059 19331 5279 1 16 . 1 1 41 41 GLU C C 41 176.151 176.151 176.012 0.139 19331 5280 1 16 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.230 0.480 19331 5281 1 16 . 1 1 41 41 GLU CB C 41 30.550 30.550 30.374 0.176 19331 5282 1 16 . 1 1 41 41 GLU H H 41 8.127 8.127 8.382 -0.255 19331 5283 1 16 . 1 1 42 42 ARG N N 42 121.379 121.379 127.678 -6.299 19331 5284 1 16 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.503 0.027 19331 5285 1 16 . 1 1 42 42 ARG CA C 42 53.378 53.378 54.206 -0.828 19331 5286 1 16 . 1 1 42 42 ARG CB C 42 30.025 30.025 29.535 0.490 19331 5287 1 16 . 1 1 42 42 ARG H H 42 8.370 8.370 8.230 0.140 19331 5288 1 16 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.046 0.214 19331 5289 1 16 . 1 1 43 43 PRO C C 43 176.151 176.151 175.366 0.785 19331 5290 1 16 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.202 1.450 19331 5291 1 16 . 1 1 43 43 PRO CB C 43 32.069 32.069 32.326 -0.257 19331 5292 1 16 . 1 1 44 44 PHE N N 44 116.589 116.589 116.836 -0.247 19331 5293 1 16 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.389 0.456 19331 5294 1 16 . 1 1 44 44 PHE C C 44 174.603 174.603 175.627 -1.024 19331 5295 1 16 . 1 1 44 44 PHE CA C 44 57.080 57.080 58.592 -1.512 19331 5296 1 16 . 1 1 44 44 PHE CB C 44 39.654 39.654 39.533 0.121 19331 5297 1 16 . 1 1 44 44 PHE H H 44 7.659 7.659 7.574 0.085 19331 5298 1 16 . 1 1 45 45 HIS N N 45 121.791 121.791 121.821 -0.030 19331 5299 1 16 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.798 0.493 19331 5300 1 16 . 1 1 45 45 HIS C C 45 172.655 172.655 174.220 -1.565 19331 5301 1 16 . 1 1 45 45 HIS CA C 45 54.560 54.560 55.225 -0.665 19331 5302 1 16 . 1 1 45 45 HIS CB C 45 31.774 31.774 32.824 -1.050 19331 5303 1 16 . 1 1 45 45 HIS H H 45 9.070 9.070 8.390 0.680 19331 5304 1 16 . 1 1 46 46 CYS N N 46 125.392 125.392 126.062 -0.670 19331 5305 1 16 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.786 -0.244 19331 5306 1 16 . 1 1 46 46 CYS C C 46 176.525 176.525 175.304 1.221 19331 5307 1 16 . 1 1 46 46 CYS CA C 46 59.233 59.233 57.455 1.778 19331 5308 1 16 . 1 1 46 46 CYS CB C 46 29.948 29.948 28.071 1.877 19331 5309 1 16 . 1 1 46 46 CYS H H 46 9.189 9.189 8.641 0.548 19331 5310 1 16 . 1 1 47 47 ASN N N 47 128.827 128.827 125.989 2.838 19331 5311 1 16 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.554 0.143 19331 5312 1 16 . 1 1 47 47 ASN C C 47 175.433 175.433 176.239 -0.806 19331 5313 1 16 . 1 1 47 47 ASN CA C 47 54.982 54.982 55.587 -0.605 19331 5314 1 16 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.629 -0.392 19331 5315 1 16 . 1 1 47 47 ASN H H 47 9.302 9.302 9.090 0.212 19331 5316 1 16 . 1 1 48 48 GLN N N 48 120.952 120.952 119.532 1.420 19331 5317 1 16 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.509 -0.202 19331 5318 1 16 . 1 1 48 48 GLN C C 48 176.151 176.151 175.903 0.248 19331 5319 1 16 . 1 1 48 48 GLN CA C 48 57.832 57.832 55.777 2.055 19331 5320 1 16 . 1 1 48 48 GLN CB C 48 29.163 29.163 26.905 2.258 19331 5321 1 16 . 1 1 48 48 GLN H H 48 9.139 9.139 8.692 0.447 19331 5322 1 16 . 1 1 49 49 CYS N N 49 116.176 116.176 114.926 1.250 19331 5323 1 16 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.688 0.461 19331 5324 1 16 . 1 1 49 49 CYS C C 49 175.430 175.430 175.215 0.215 19331 5325 1 16 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.332 -0.983 19331 5326 1 16 . 1 1 49 49 CYS CB C 49 32.264 32.264 29.345 2.920 19331 5327 1 16 . 1 1 49 49 CYS H H 49 8.117 8.117 8.316 -0.199 19331 5328 1 16 . 1 1 50 50 GLY N N 50 111.724 111.724 111.521 0.203 19331 5329 1 16 . 1 1 50 50 GLY C C 50 173.758 173.758 173.404 0.354 19331 5330 1 16 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.435 0.456 19331 5331 1 16 . 1 1 50 50 GLY H H 50 8.142 8.142 8.286 -0.144 19331 5332 1 16 . 1 1 51 51 ALA N N 51 126.041 126.041 122.969 3.072 19331 5333 1 16 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.467 -0.380 19331 5334 1 16 . 1 1 51 51 ALA C C 51 175.350 175.350 175.809 -0.459 19331 5335 1 16 . 1 1 51 51 ALA CA C 51 53.505 53.505 50.392 3.113 19331 5336 1 16 . 1 1 51 51 ALA CB C 51 19.611 19.611 19.797 -0.186 19331 5337 1 16 . 1 1 51 51 ALA H H 51 8.420 8.420 7.518 0.902 19331 5338 1 16 . 1 1 52 52 SER N N 52 113.511 113.511 120.422 -6.911 19331 5339 1 16 . 1 1 52 52 SER HA H 52 5.255 5.255 4.952 0.303 19331 5340 1 16 . 1 1 52 52 SER C C 52 173.002 173.002 173.422 -0.420 19331 5341 1 16 . 1 1 52 52 SER CA C 52 56.680 56.680 57.419 -0.739 19331 5342 1 16 . 1 1 52 52 SER CB C 52 65.958 65.958 64.089 1.869 19331 5343 1 16 . 1 1 52 52 SER H H 52 7.829 7.829 8.197 -0.368 19331 5344 1 16 . 1 1 53 53 PHE N N 53 117.376 117.376 123.176 -5.800 19331 5345 1 16 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.736 0.142 19331 5346 1 16 . 1 1 53 53 PHE C C 53 174.977 174.977 176.155 -1.178 19331 5347 1 16 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.409 0.147 19331 5348 1 16 . 1 1 53 53 PHE CB C 53 43.874 43.874 42.369 1.505 19331 5349 1 16 . 1 1 53 53 PHE H H 53 8.802 8.802 8.649 0.153 19331 5350 1 16 . 1 1 54 54 THR N N 54 114.290 114.290 115.231 -0.941 19331 5351 1 16 . 1 1 54 54 THR HA H 54 4.553 4.553 4.454 0.099 19331 5352 1 16 . 1 1 54 54 THR C C 54 174.229 174.229 174.624 -0.395 19331 5353 1 16 . 1 1 54 54 THR CA C 54 63.789 63.789 62.643 1.146 19331 5354 1 16 . 1 1 54 54 THR CB C 54 69.491 69.491 69.402 0.089 19331 5355 1 16 . 1 1 54 54 THR H H 54 9.129 9.129 8.602 0.527 19331 5356 1 16 . 1 1 55 55 GLN N N 55 117.684 117.684 121.084 -3.400 19331 5357 1 16 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.551 0.233 19331 5358 1 16 . 1 1 55 55 GLN C C 55 176.124 176.124 175.884 0.240 19331 5359 1 16 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.336 -0.271 19331 5360 1 16 . 1 1 55 55 GLN CB C 55 31.444 31.444 29.780 1.664 19331 5361 1 16 . 1 1 55 55 GLN H H 55 7.563 7.563 8.102 -0.539 19331 5362 1 16 . 1 1 56 56 LYS N N 56 127.497 127.497 125.149 2.348 19331 5363 1 16 . 1 1 56 56 LYS HA H 56 2.791 2.791 2.860 -0.069 19331 5364 1 16 . 1 1 56 56 LYS C C 56 178.179 178.179 177.772 0.407 19331 5365 1 16 . 1 1 56 56 LYS CA C 56 59.297 59.297 58.641 0.656 19331 5366 1 16 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.426 0.308 19331 5367 1 16 . 1 1 56 56 LYS H H 56 8.680 8.680 8.608 0.072 19331 5368 1 16 . 1 1 57 57 GLY N N 57 105.111 105.111 107.211 -2.100 19331 5369 1 16 . 1 1 57 57 GLY C C 57 176.204 176.204 176.173 0.031 19331 5370 1 16 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.068 0.002 19331 5371 1 16 . 1 1 57 57 GLY H H 57 8.900 8.900 8.465 0.435 19331 5372 1 16 . 1 1 58 58 ASN N N 58 117.732 117.732 119.854 -2.122 19331 5373 1 16 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.279 0.169 19331 5374 1 16 . 1 1 58 58 ASN C C 58 177.325 177.325 176.862 0.463 19331 5375 1 16 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.499 -0.588 19331 5376 1 16 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.540 -0.078 19331 5377 1 16 . 1 1 58 58 ASN H H 58 6.958 6.958 7.232 -0.274 19331 5378 1 16 . 1 1 59 59 LEU N N 59 123.027 123.027 121.544 1.483 19331 5379 1 16 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.728 -0.602 19331 5380 1 16 . 1 1 59 59 LEU C C 59 177.352 177.352 177.874 -0.522 19331 5381 1 16 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.193 0.466 19331 5382 1 16 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.825 -1.915 19331 5383 1 16 . 1 1 59 59 LEU H H 59 6.885 6.885 6.979 -0.094 19331 5384 1 16 . 1 1 60 60 LEU N N 60 117.860 117.860 118.563 -0.703 19331 5385 1 16 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.905 -0.009 19331 5386 1 16 . 1 1 60 60 LEU C C 60 179.669 179.669 179.176 0.493 19331 5387 1 16 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.618 0.520 19331 5388 1 16 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.445 -0.813 19331 5389 1 16 . 1 1 60 60 LEU H H 60 8.078 8.078 8.045 0.033 19331 5390 1 16 . 1 1 61 61 ARG N N 61 117.382 117.382 117.066 0.316 19331 5391 1 16 . 1 1 61 61 ARG HA H 61 3.928 3.928 4.167 -0.239 19331 5392 1 16 . 1 1 61 61 ARG C C 61 177.752 177.752 178.462 -0.710 19331 5393 1 16 . 1 1 61 61 ARG CA C 61 59.258 59.258 57.686 1.572 19331 5394 1 16 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.706 0.640 19331 5395 1 16 . 1 1 61 61 ARG H H 61 7.414 7.414 7.945 -0.531 19331 5396 1 16 . 1 1 62 62 HIS N N 62 119.118 119.118 120.116 -0.998 19331 5397 1 16 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.438 -0.327 19331 5398 1 16 . 1 1 62 62 HIS C C 62 176.978 176.978 178.148 -1.170 19331 5399 1 16 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.622 -0.056 19331 5400 1 16 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.032 -1.474 19331 5401 1 16 . 1 1 62 62 HIS H H 62 7.360 7.360 7.537 -0.177 19331 5402 1 16 . 1 1 63 63 ILE N N 63 116.662 116.662 115.929 0.733 19331 5403 1 16 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.007 -0.338 19331 5404 1 16 . 1 1 63 63 ILE C C 63 178.526 178.526 176.806 1.720 19331 5405 1 16 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.188 1.687 19331 5406 1 16 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.844 0.240 19331 5407 1 16 . 1 1 63 63 ILE H H 63 8.500 8.500 8.008 0.492 19331 5408 1 16 . 1 1 64 64 LYS N N 64 119.456 119.456 119.782 -0.326 19331 5409 1 16 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.098 -0.030 19331 5410 1 16 . 1 1 64 64 LYS C C 64 178.553 178.553 178.928 -0.375 19331 5411 1 16 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.137 -0.470 19331 5412 1 16 . 1 1 64 64 LYS CB C 64 32.004 32.004 31.958 0.046 19331 5413 1 16 . 1 1 64 64 LYS H H 64 7.174 7.174 7.670 -0.496 19331 5414 1 16 . 1 1 65 65 LEU N N 65 118.539 118.539 119.299 -0.760 19331 5415 1 16 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.249 -0.185 19331 5416 1 16 . 1 1 65 65 LEU C C 65 178.980 178.980 179.177 -0.197 19331 5417 1 16 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.329 -0.722 19331 5418 1 16 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.598 -0.621 19331 5419 1 16 . 1 1 65 65 LEU H H 65 7.744 7.744 7.480 0.264 19331 5420 1 16 . 1 1 66 66 HIS N N 66 115.422 115.422 116.740 -1.318 19331 5421 1 16 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.353 0.380 19331 5422 1 16 . 1 1 66 66 HIS C C 66 175.671 175.671 176.173 -0.502 19331 5423 1 16 . 1 1 66 66 HIS CA C 66 56.128 56.128 58.741 -2.613 19331 5424 1 16 . 1 1 66 66 HIS CB C 66 28.573 28.573 29.984 -1.411 19331 5425 1 16 . 1 1 66 66 HIS H H 66 7.357 7.357 7.723 -0.366 19331 5426 1 16 . 1 1 67 67 SER N N 67 115.047 115.047 112.080 2.967 19331 5427 1 16 . 1 1 67 67 SER HA H 67 4.459 4.459 4.516 -0.057 19331 5428 1 16 . 1 1 67 67 SER C C 67 175.003 175.003 174.317 0.686 19331 5429 1 16 . 1 1 67 67 SER CA C 67 59.246 59.246 58.408 0.838 19331 5430 1 16 . 1 1 67 67 SER CB C 67 63.693 63.693 63.920 -0.227 19331 5431 1 16 . 1 1 67 67 SER H H 67 7.859 7.859 7.726 0.133 19331 5432 1 16 . 1 1 68 68 GLY N N 68 110.437 110.437 109.050 1.387 19331 5433 1 16 . 1 1 68 68 GLY C C 68 173.812 173.812 172.643 1.169 19331 5434 1 16 . 1 1 68 68 GLY CA C 68 45.307 45.307 44.573 0.734 19331 5435 1 16 . 1 1 68 68 GLY H H 68 8.281 8.281 7.456 0.825 19331 5436 1 16 . 1 1 69 69 GLU N N 69 120.321 120.321 123.692 -3.371 19331 5437 1 16 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.411 -0.131 19331 5438 1 16 . 1 1 69 69 GLU C C 69 176.124 176.124 176.009 0.115 19331 5439 1 16 . 1 1 69 69 GLU CA C 69 56.393 56.393 55.641 0.752 19331 5440 1 16 . 1 1 69 69 GLU CB C 69 30.396 30.396 28.817 1.579 19331 5441 1 16 . 1 1 69 69 GLU H H 69 8.069 8.069 8.559 -0.490 19331 5442 1 16 . 1 1 70 70 LYS N N 70 123.278 123.278 126.803 -3.525 19331 5443 1 16 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.724 -0.130 19331 5444 1 16 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.191 0.874 19331 5445 1 16 . 1 1 70 70 LYS CB C 70 32.557 32.557 33.268 -0.711 19331 5446 1 16 . 1 1 70 70 LYS H H 70 8.349 8.349 7.672 0.677 19331 5447 1 16 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.305 0.086 19331 5448 1 16 . 1 1 71 71 PRO C C 71 176.178 176.178 175.691 0.487 19331 5449 1 16 . 1 1 71 71 PRO CA C 71 63.143 63.143 64.204 -1.060 19331 5450 1 16 . 1 1 71 71 PRO CB C 71 31.837 31.837 31.326 0.510 19331 5451 1 16 . 1 1 72 72 PHE N N 72 120.324 120.324 124.774 -4.450 19331 5452 1 16 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.640 -0.034 19331 5453 1 16 . 1 1 72 72 PHE C C 72 174.546 174.546 175.195 -0.649 19331 5454 1 16 . 1 1 72 72 PHE CA C 72 57.543 57.543 58.278 -0.735 19331 5455 1 16 . 1 1 72 72 PHE CB C 72 39.501 39.501 40.962 -1.461 19331 5456 1 16 . 1 1 72 72 PHE H H 72 8.177 8.177 8.599 -0.422 19331 5457 1 17 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.635 -0.375 19331 5458 1 17 . 1 1 12 12 PRO C C 12 175.377 175.377 175.030 0.347 19331 5459 1 17 . 1 1 12 12 PRO CA C 12 63.385 63.385 63.123 0.262 19331 5460 1 17 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.065 0.004 19331 5461 1 17 . 1 1 13 13 ASN N N 13 123.885 123.885 114.719 9.166 19331 5462 1 17 . 1 1 13 13 ASN HA H 13 4.464 4.464 5.312 -0.848 19331 5463 1 17 . 1 1 13 13 ASN C C 13 176.178 176.178 173.784 2.394 19331 5464 1 17 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.339 2.495 19331 5465 1 17 . 1 1 13 13 ASN CB C 13 41.005 41.005 40.366 0.639 19331 5466 1 17 . 1 1 13 13 ASN H H 13 8.001 8.001 8.974 -0.973 19331 5467 1 17 . 1 1 14 14 GLY N N 14 113.831 113.831 109.016 4.815 19331 5468 1 17 . 1 1 14 14 GLY C C 14 174.152 174.152 172.990 1.162 19331 5469 1 17 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.068 0.297 19331 5470 1 17 . 1 1 14 14 GLY H H 14 8.367 8.367 8.829 -0.462 19331 5471 1 17 . 1 1 15 15 LYS N N 15 119.903 119.903 121.305 -1.402 19331 5472 1 17 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.793 -0.496 19331 5473 1 17 . 1 1 15 15 LYS C C 15 176.217 176.217 175.685 0.532 19331 5474 1 17 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.254 1.667 19331 5475 1 17 . 1 1 15 15 LYS CB C 15 32.804 32.804 33.979 -1.175 19331 5476 1 17 . 1 1 15 15 LYS H H 15 8.200 8.200 8.167 0.033 19331 5477 1 17 . 1 1 16 16 LEU N N 16 122.670 122.670 122.459 0.211 19331 5478 1 17 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.668 -0.214 19331 5479 1 17 . 1 1 16 16 LEU C C 16 173.805 173.805 176.213 -2.408 19331 5480 1 17 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.265 0.815 19331 5481 1 17 . 1 1 16 16 LEU CB C 16 41.852 41.852 43.821 -1.969 19331 5482 1 17 . 1 1 16 16 LEU H H 16 8.394 8.394 8.464 -0.070 19331 5483 1 17 . 1 1 17 17 LYS N N 17 120.445 120.445 122.007 -1.562 19331 5484 1 17 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.591 0.286 19331 5485 1 17 . 1 1 17 17 LYS C C 17 175.777 175.777 176.000 -0.223 19331 5486 1 17 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.771 -1.282 19331 5487 1 17 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.463 1.691 19331 5488 1 17 . 1 1 17 17 LYS H H 17 8.026 8.026 8.327 -0.301 19331 5489 1 17 . 1 1 18 18 CYS N N 18 127.176 127.176 123.692 3.484 19331 5490 1 17 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.703 -0.476 19331 5491 1 17 . 1 1 18 18 CYS C C 18 176.551 176.551 174.676 1.875 19331 5492 1 17 . 1 1 18 18 CYS CA C 18 60.677 60.677 57.457 3.220 19331 5493 1 17 . 1 1 18 18 CYS CB C 18 29.821 29.821 28.038 1.783 19331 5494 1 17 . 1 1 18 18 CYS H H 18 9.071 9.071 8.679 0.392 19331 5495 1 17 . 1 1 19 19 ASP N N 19 130.419 130.419 125.613 4.806 19331 5496 1 17 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.660 -0.296 19331 5497 1 17 . 1 1 19 19 ASP C C 19 175.433 175.433 175.476 -0.043 19331 5498 1 17 . 1 1 19 19 ASP CA C 19 55.671 55.671 53.455 2.216 19331 5499 1 17 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.447 -1.834 19331 5500 1 17 . 1 1 19 19 ASP H H 19 9.137 9.137 8.550 0.587 19331 5501 1 17 . 1 1 20 20 VAL N N 20 123.067 123.067 121.433 1.634 19331 5502 1 17 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.180 -0.358 19331 5503 1 17 . 1 1 20 20 VAL C C 20 177.009 177.009 175.995 1.014 19331 5504 1 17 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.649 3.713 19331 5505 1 17 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.901 0.069 19331 5506 1 17 . 1 1 20 20 VAL H H 20 9.022 9.022 8.292 0.730 19331 5507 1 17 . 1 1 21 21 CYS N N 21 115.484 115.484 126.062 -10.578 19331 5508 1 17 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.690 0.425 19331 5509 1 17 . 1 1 21 21 CYS C C 21 176.178 176.178 174.763 1.415 19331 5510 1 17 . 1 1 21 21 CYS CA C 21 58.067 58.067 59.028 -0.961 19331 5511 1 17 . 1 1 21 21 CYS CB C 21 33.096 33.096 28.497 4.599 19331 5512 1 17 . 1 1 21 21 CYS H H 21 8.092 8.092 8.388 -0.296 19331 5513 1 17 . 1 1 22 22 GLY N N 22 113.222 113.222 114.265 -1.043 19331 5514 1 17 . 1 1 22 22 GLY C C 22 173.028 173.028 173.218 -0.190 19331 5515 1 17 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.772 0.969 19331 5516 1 17 . 1 1 22 22 GLY H H 22 7.931 7.931 8.165 -0.234 19331 5517 1 17 . 1 1 23 23 MET N N 23 122.930 122.930 121.815 1.115 19331 5518 1 17 . 1 1 23 23 MET HA H 23 4.075 4.075 4.795 -0.720 19331 5519 1 17 . 1 1 23 23 MET C C 23 174.950 174.950 175.437 -0.487 19331 5520 1 17 . 1 1 23 23 MET CA C 23 57.226 57.226 55.281 1.945 19331 5521 1 17 . 1 1 23 23 MET CB C 23 33.750 33.750 33.983 -0.233 19331 5522 1 17 . 1 1 23 23 MET H H 23 8.276 8.276 8.323 -0.047 19331 5523 1 17 . 1 1 24 24 VAL N N 24 126.800 126.800 123.002 3.798 19331 5524 1 17 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.525 -0.195 19331 5525 1 17 . 1 1 24 24 VAL C C 24 176.124 176.124 175.167 0.957 19331 5526 1 17 . 1 1 24 24 VAL CA C 24 62.581 62.581 61.433 1.148 19331 5527 1 17 . 1 1 24 24 VAL CB C 24 31.843 31.843 32.967 -1.124 19331 5528 1 17 . 1 1 24 24 VAL H H 24 8.466 8.466 8.508 -0.042 19331 5529 1 17 . 1 1 25 25 CYS N N 25 125.377 125.377 120.525 4.852 19331 5530 1 17 . 1 1 25 25 CYS HA H 25 4.729 4.729 5.032 -0.303 19331 5531 1 17 . 1 1 25 25 CYS C C 25 173.829 173.829 173.958 -0.129 19331 5532 1 17 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.455 -0.945 19331 5533 1 17 . 1 1 25 25 CYS CB C 25 31.649 31.649 30.084 1.565 19331 5534 1 17 . 1 1 25 25 CYS H H 25 8.720 8.720 8.619 0.101 19331 5535 1 17 . 1 1 26 26 ILE N N 26 119.435 119.435 119.358 0.077 19331 5536 1 17 . 1 1 26 26 ILE HA H 26 4.170 4.170 5.119 -0.949 19331 5537 1 17 . 1 1 26 26 ILE C C 26 175.334 175.334 175.103 0.231 19331 5538 1 17 . 1 1 26 26 ILE CA C 26 61.946 61.946 60.375 1.571 19331 5539 1 17 . 1 1 26 26 ILE CB C 26 37.870 37.870 40.394 -2.524 19331 5540 1 17 . 1 1 26 26 ILE H H 26 8.407 8.407 8.746 -0.339 19331 5541 1 17 . 1 1 27 27 GLY N N 27 109.455 109.455 111.196 -1.741 19331 5542 1 17 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.820 -0.222 19331 5543 1 17 . 1 1 27 27 GLY H H 27 7.444 7.444 8.485 -1.041 19331 5544 1 17 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.507 -0.327 19331 5545 1 17 . 1 1 28 28 PRO C C 28 178.526 178.526 176.918 1.608 19331 5546 1 17 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.230 2.784 19331 5547 1 17 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.842 -1.093 19331 5548 1 17 . 1 1 29 29 ASN N N 29 118.871 118.871 120.434 -1.563 19331 5549 1 17 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.790 -0.216 19331 5550 1 17 . 1 1 29 29 ASN C C 29 176.925 176.925 176.687 0.238 19331 5551 1 17 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.714 3.740 19331 5552 1 17 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.168 0.313 19331 5553 1 17 . 1 1 29 29 ASN H H 29 8.722 8.722 8.681 0.041 19331 5554 1 17 . 1 1 30 30 VAL N N 30 120.904 120.904 117.903 3.001 19331 5555 1 17 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.743 -0.026 19331 5556 1 17 . 1 1 30 30 VAL C C 30 178.526 178.526 176.993 1.533 19331 5557 1 17 . 1 1 30 30 VAL CA C 30 65.881 65.881 65.644 0.237 19331 5558 1 17 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.959 -0.119 19331 5559 1 17 . 1 1 30 30 VAL H H 30 7.475 7.475 7.547 -0.072 19331 5560 1 17 . 1 1 31 31 LEU N N 31 120.665 120.665 119.839 0.826 19331 5561 1 17 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.067 0.400 19331 5562 1 17 . 1 1 31 31 LEU C C 31 177.379 177.379 179.017 -1.638 19331 5563 1 17 . 1 1 31 31 LEU CA C 31 58.102 58.102 58.234 -0.132 19331 5564 1 17 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.453 -0.086 19331 5565 1 17 . 1 1 31 31 LEU H H 31 7.853 7.853 7.872 -0.019 19331 5566 1 17 . 1 1 32 32 MET N N 32 117.671 117.671 117.767 -0.096 19331 5567 1 17 . 1 1 32 32 MET HA H 32 4.099 4.099 4.161 -0.062 19331 5568 1 17 . 1 1 32 32 MET C C 32 178.927 178.927 178.734 0.193 19331 5569 1 17 . 1 1 32 32 MET CA C 32 59.015 59.015 59.188 -0.173 19331 5570 1 17 . 1 1 32 32 MET CB C 32 32.105 32.105 32.423 -0.318 19331 5571 1 17 . 1 1 32 32 MET H H 32 7.974 7.974 7.528 0.446 19331 5572 1 17 . 1 1 33 33 VAL N N 33 119.384 119.384 119.087 0.297 19331 5573 1 17 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.587 -0.045 19331 5574 1 17 . 1 1 33 33 VAL C C 33 179.275 179.275 177.850 1.425 19331 5575 1 17 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.595 0.058 19331 5576 1 17 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.412 0.404 19331 5577 1 17 . 1 1 33 33 VAL H H 33 7.747 7.747 8.242 -0.495 19331 5578 1 17 . 1 1 34 34 HIS N N 34 120.938 120.938 119.811 1.127 19331 5579 1 17 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.345 -0.125 19331 5580 1 17 . 1 1 34 34 HIS C C 34 178.486 178.486 177.320 1.166 19331 5581 1 17 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.757 0.041 19331 5582 1 17 . 1 1 34 34 HIS CB C 34 28.036 28.036 30.148 -2.112 19331 5583 1 17 . 1 1 34 34 HIS H H 34 8.664 8.664 7.853 0.811 19331 5584 1 17 . 1 1 35 35 LYS N N 35 119.725 119.725 119.370 0.355 19331 5585 1 17 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.076 -0.360 19331 5586 1 17 . 1 1 35 35 LYS C C 35 178.526 178.526 178.585 -0.059 19331 5587 1 17 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.535 1.131 19331 5588 1 17 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.474 -1.046 19331 5589 1 17 . 1 1 35 35 LYS H H 35 9.034 9.034 8.227 0.807 19331 5590 1 17 . 1 1 36 36 ARG N N 36 118.491 118.491 119.852 -1.361 19331 5591 1 17 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.135 0.014 19331 5592 1 17 . 1 1 36 36 ARG C C 36 177.752 177.752 178.429 -0.677 19331 5593 1 17 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.606 -0.499 19331 5594 1 17 . 1 1 36 36 ARG CB C 36 29.714 29.714 30.043 -0.329 19331 5595 1 17 . 1 1 36 36 ARG H H 36 7.458 7.458 8.133 -0.675 19331 5596 1 17 . 1 1 37 37 SER N N 37 113.811 113.811 113.316 0.495 19331 5597 1 17 . 1 1 37 37 SER HA H 37 4.202 4.202 4.261 -0.059 19331 5598 1 17 . 1 1 37 37 SER C C 37 174.576 174.576 175.963 -1.387 19331 5599 1 17 . 1 1 37 37 SER CA C 37 60.412 60.412 60.746 -0.334 19331 5600 1 17 . 1 1 37 37 SER CB C 37 62.129 62.129 62.623 -0.494 19331 5601 1 17 . 1 1 37 37 SER H H 37 7.771 7.771 8.055 -0.284 19331 5602 1 17 . 1 1 38 38 HIS N N 38 118.829 118.829 120.784 -1.955 19331 5603 1 17 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.494 0.500 19331 5604 1 17 . 1 1 38 38 HIS C C 38 174.977 174.977 176.032 -1.055 19331 5605 1 17 . 1 1 38 38 HIS CA C 38 54.798 54.798 58.852 -4.054 19331 5606 1 17 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.678 -2.361 19331 5607 1 17 . 1 1 38 38 HIS H H 38 7.265 7.265 7.737 -0.472 19331 5608 1 17 . 1 1 39 39 THR N N 39 113.289 113.289 106.424 6.865 19331 5609 1 17 . 1 1 39 39 THR HA H 39 4.353 4.353 4.540 -0.187 19331 5610 1 17 . 1 1 39 39 THR C C 39 174.977 174.977 175.233 -0.256 19331 5611 1 17 . 1 1 39 39 THR CA C 39 62.252 62.252 62.837 -0.585 19331 5612 1 17 . 1 1 39 39 THR CB C 39 69.773 69.773 70.509 -0.736 19331 5613 1 17 . 1 1 39 39 THR H H 39 7.814 7.814 8.380 -0.566 19331 5614 1 17 . 1 1 40 40 GLY N N 40 110.879 110.879 111.489 -0.610 19331 5615 1 17 . 1 1 40 40 GLY C C 40 173.802 173.802 173.491 0.311 19331 5616 1 17 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.036 0.137 19331 5617 1 17 . 1 1 40 40 GLY H H 40 8.425 8.425 8.387 0.038 19331 5618 1 17 . 1 1 41 41 GLU N N 41 120.081 120.081 119.528 0.553 19331 5619 1 17 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.480 -0.258 19331 5620 1 17 . 1 1 41 41 GLU C C 41 176.151 176.151 176.217 -0.066 19331 5621 1 17 . 1 1 41 41 GLU CA C 41 56.710 56.710 54.946 1.764 19331 5622 1 17 . 1 1 41 41 GLU CB C 41 30.550 30.550 31.195 -0.645 19331 5623 1 17 . 1 1 41 41 GLU H H 41 8.127 8.127 7.938 0.189 19331 5624 1 17 . 1 1 42 42 ARG N N 42 121.379 121.379 123.935 -2.556 19331 5625 1 17 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.264 0.266 19331 5626 1 17 . 1 1 42 42 ARG CA C 42 53.378 53.378 54.442 -1.064 19331 5627 1 17 . 1 1 42 42 ARG CB C 42 30.025 30.025 29.646 0.379 19331 5628 1 17 . 1 1 42 42 ARG H H 42 8.370 8.370 8.412 -0.042 19331 5629 1 17 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.253 0.007 19331 5630 1 17 . 1 1 43 43 PRO C C 43 176.151 176.151 175.547 0.604 19331 5631 1 17 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.461 1.191 19331 5632 1 17 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.916 0.153 19331 5633 1 17 . 1 1 44 44 PHE N N 44 116.589 116.589 124.812 -8.223 19331 5634 1 17 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.371 0.474 19331 5635 1 17 . 1 1 44 44 PHE C C 44 174.603 174.603 175.118 -0.515 19331 5636 1 17 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.623 -0.543 19331 5637 1 17 . 1 1 44 44 PHE CB C 44 39.654 39.654 38.063 1.591 19331 5638 1 17 . 1 1 44 44 PHE H H 44 7.659 7.659 8.257 -0.598 19331 5639 1 17 . 1 1 45 45 HIS N N 45 121.791 121.791 122.863 -1.072 19331 5640 1 17 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.793 0.498 19331 5641 1 17 . 1 1 45 45 HIS C C 45 172.655 172.655 175.376 -2.721 19331 5642 1 17 . 1 1 45 45 HIS CA C 45 54.560 54.560 55.811 -1.251 19331 5643 1 17 . 1 1 45 45 HIS CB C 45 31.774 31.774 31.518 0.256 19331 5644 1 17 . 1 1 45 45 HIS H H 45 9.070 9.070 7.972 1.098 19331 5645 1 17 . 1 1 46 46 CYS N N 46 125.392 125.392 124.677 0.715 19331 5646 1 17 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.451 0.091 19331 5647 1 17 . 1 1 46 46 CYS C C 46 176.525 176.525 174.649 1.876 19331 5648 1 17 . 1 1 46 46 CYS CA C 46 59.233 59.233 60.940 -1.707 19331 5649 1 17 . 1 1 46 46 CYS CB C 46 29.948 29.948 27.779 2.169 19331 5650 1 17 . 1 1 46 46 CYS H H 46 9.189 9.189 8.696 0.493 19331 5651 1 17 . 1 1 47 47 ASN N N 47 128.827 128.827 116.396 12.431 19331 5652 1 17 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.904 -0.207 19331 5653 1 17 . 1 1 47 47 ASN C C 47 175.433 175.433 174.735 0.698 19331 5654 1 17 . 1 1 47 47 ASN CA C 47 54.982 54.982 53.672 1.310 19331 5655 1 17 . 1 1 47 47 ASN CB C 47 38.237 38.237 40.258 -2.022 19331 5656 1 17 . 1 1 47 47 ASN H H 47 9.302 9.302 8.980 0.322 19331 5657 1 17 . 1 1 48 48 GLN N N 48 120.952 120.952 120.600 0.352 19331 5658 1 17 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.540 -0.233 19331 5659 1 17 . 1 1 48 48 GLN C C 48 176.151 176.151 174.454 1.697 19331 5660 1 17 . 1 1 48 48 GLN CA C 48 57.832 57.832 55.931 1.901 19331 5661 1 17 . 1 1 48 48 GLN CB C 48 29.163 29.163 28.897 0.266 19331 5662 1 17 . 1 1 48 48 GLN H H 48 9.139 9.139 8.850 0.289 19331 5663 1 17 . 1 1 49 49 CYS N N 49 116.176 116.176 117.043 -0.867 19331 5664 1 17 . 1 1 49 49 CYS HA H 49 5.149 5.149 5.010 0.139 19331 5665 1 17 . 1 1 49 49 CYS C C 49 175.430 175.430 175.320 0.110 19331 5666 1 17 . 1 1 49 49 CYS CA C 49 58.349 58.349 57.380 0.968 19331 5667 1 17 . 1 1 49 49 CYS CB C 49 32.264 32.264 28.768 3.496 19331 5668 1 17 . 1 1 49 49 CYS H H 49 8.117 8.117 8.177 -0.060 19331 5669 1 17 . 1 1 50 50 GLY N N 50 111.724 111.724 107.606 4.118 19331 5670 1 17 . 1 1 50 50 GLY C C 50 173.758 173.758 173.988 -0.230 19331 5671 1 17 . 1 1 50 50 GLY CA C 50 45.891 45.891 44.810 1.081 19331 5672 1 17 . 1 1 50 50 GLY H H 50 8.142 8.142 8.475 -0.333 19331 5673 1 17 . 1 1 51 51 ALA N N 51 126.041 126.041 124.625 1.416 19331 5674 1 17 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.200 -0.113 19331 5675 1 17 . 1 1 51 51 ALA C C 51 175.350 175.350 175.682 -0.332 19331 5676 1 17 . 1 1 51 51 ALA CA C 51 53.505 53.505 52.166 1.339 19331 5677 1 17 . 1 1 51 51 ALA CB C 51 19.611 19.611 19.092 0.519 19331 5678 1 17 . 1 1 51 51 ALA H H 51 8.420 8.420 7.378 1.042 19331 5679 1 17 . 1 1 52 52 SER N N 52 113.511 113.511 117.012 -3.501 19331 5680 1 17 . 1 1 52 52 SER HA H 52 5.255 5.255 5.230 0.025 19331 5681 1 17 . 1 1 52 52 SER C C 52 173.002 173.002 173.263 -0.261 19331 5682 1 17 . 1 1 52 52 SER CA C 52 56.680 56.680 57.182 -0.502 19331 5683 1 17 . 1 1 52 52 SER CB C 52 65.958 65.958 65.481 0.477 19331 5684 1 17 . 1 1 52 52 SER H H 52 7.829 7.829 7.999 -0.170 19331 5685 1 17 . 1 1 53 53 PHE N N 53 117.376 117.376 124.809 -7.433 19331 5686 1 17 . 1 1 53 53 PHE HA H 53 4.878 4.878 5.047 -0.169 19331 5687 1 17 . 1 1 53 53 PHE C C 53 174.977 174.977 175.837 -0.860 19331 5688 1 17 . 1 1 53 53 PHE CA C 53 57.556 57.556 56.773 0.784 19331 5689 1 17 . 1 1 53 53 PHE CB C 53 43.874 43.874 41.992 1.881 19331 5690 1 17 . 1 1 53 53 PHE H H 53 8.802 8.802 8.935 -0.133 19331 5691 1 17 . 1 1 54 54 THR N N 54 114.290 114.290 111.665 2.625 19331 5692 1 17 . 1 1 54 54 THR HA H 54 4.553 4.553 4.632 -0.079 19331 5693 1 17 . 1 1 54 54 THR C C 54 174.229 174.229 173.458 0.771 19331 5694 1 17 . 1 1 54 54 THR CA C 54 63.789 63.789 61.712 2.077 19331 5695 1 17 . 1 1 54 54 THR CB C 54 69.491 69.491 69.461 0.030 19331 5696 1 17 . 1 1 54 54 THR H H 54 9.129 9.129 8.270 0.859 19331 5697 1 17 . 1 1 55 55 GLN N N 55 117.684 117.684 120.655 -2.971 19331 5698 1 17 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.306 0.478 19331 5699 1 17 . 1 1 55 55 GLN C C 55 176.124 176.124 176.512 -0.388 19331 5700 1 17 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.753 -0.688 19331 5701 1 17 . 1 1 55 55 GLN CB C 55 31.444 31.444 29.891 1.553 19331 5702 1 17 . 1 1 55 55 GLN H H 55 7.563 7.563 7.905 -0.342 19331 5703 1 17 . 1 1 56 56 LYS N N 56 127.497 127.497 124.092 3.405 19331 5704 1 17 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.709 -0.918 19331 5705 1 17 . 1 1 56 56 LYS C C 56 178.179 178.179 178.482 -0.303 19331 5706 1 17 . 1 1 56 56 LYS CA C 56 59.297 59.297 58.887 0.410 19331 5707 1 17 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.789 -0.055 19331 5708 1 17 . 1 1 56 56 LYS H H 56 8.680 8.680 8.611 0.069 19331 5709 1 17 . 1 1 57 57 GLY N N 57 105.111 105.111 107.481 -2.370 19331 5710 1 17 . 1 1 57 57 GLY C C 57 176.204 176.204 176.290 -0.086 19331 5711 1 17 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.154 -0.084 19331 5712 1 17 . 1 1 57 57 GLY H H 57 8.900 8.900 8.466 0.434 19331 5713 1 17 . 1 1 58 58 ASN N N 58 117.732 117.732 118.917 -1.185 19331 5714 1 17 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.312 0.136 19331 5715 1 17 . 1 1 58 58 ASN C C 58 177.325 177.325 176.317 1.008 19331 5716 1 17 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.676 -0.764 19331 5717 1 17 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.841 -0.379 19331 5718 1 17 . 1 1 58 58 ASN H H 58 6.958 6.958 8.358 -1.400 19331 5719 1 17 . 1 1 59 59 LEU N N 59 123.027 123.027 121.453 1.574 19331 5720 1 17 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.740 -0.614 19331 5721 1 17 . 1 1 59 59 LEU C C 59 177.352 177.352 177.379 -0.027 19331 5722 1 17 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.190 0.469 19331 5723 1 17 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.955 -2.045 19331 5724 1 17 . 1 1 59 59 LEU H H 59 6.885 6.885 7.258 -0.373 19331 5725 1 17 . 1 1 60 60 LEU N N 60 117.860 117.860 118.463 -0.603 19331 5726 1 17 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.815 0.081 19331 5727 1 17 . 1 1 60 60 LEU C C 60 179.669 179.669 179.091 0.578 19331 5728 1 17 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.996 0.142 19331 5729 1 17 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.425 -0.793 19331 5730 1 17 . 1 1 60 60 LEU H H 60 8.078 8.078 8.215 -0.137 19331 5731 1 17 . 1 1 61 61 ARG N N 61 117.382 117.382 117.535 -0.153 19331 5732 1 17 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.942 -0.014 19331 5733 1 17 . 1 1 61 61 ARG C C 61 177.752 177.752 178.157 -0.405 19331 5734 1 17 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.978 0.280 19331 5735 1 17 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.418 0.928 19331 5736 1 17 . 1 1 61 61 ARG H H 61 7.414 7.414 7.897 -0.483 19331 5737 1 17 . 1 1 62 62 HIS N N 62 119.118 119.118 120.547 -1.429 19331 5738 1 17 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.402 -0.291 19331 5739 1 17 . 1 1 62 62 HIS C C 62 176.978 176.978 177.587 -0.609 19331 5740 1 17 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.703 -0.137 19331 5741 1 17 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.224 -1.666 19331 5742 1 17 . 1 1 62 62 HIS H H 62 7.360 7.360 7.407 -0.047 19331 5743 1 17 . 1 1 63 63 ILE N N 63 116.662 116.662 115.258 1.404 19331 5744 1 17 . 1 1 63 63 ILE HA H 63 3.669 3.669 3.306 0.363 19331 5745 1 17 . 1 1 63 63 ILE C C 63 178.526 178.526 177.333 1.193 19331 5746 1 17 . 1 1 63 63 ILE CA C 63 65.875 65.875 63.728 2.147 19331 5747 1 17 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.809 0.275 19331 5748 1 17 . 1 1 63 63 ILE H H 63 8.500 8.500 7.979 0.521 19331 5749 1 17 . 1 1 64 64 LYS N N 64 119.456 119.456 120.589 -1.133 19331 5750 1 17 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.051 0.017 19331 5751 1 17 . 1 1 64 64 LYS C C 64 178.553 178.553 179.181 -0.628 19331 5752 1 17 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.139 -0.472 19331 5753 1 17 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.429 -0.425 19331 5754 1 17 . 1 1 64 64 LYS H H 64 7.174 7.174 7.322 -0.148 19331 5755 1 17 . 1 1 65 65 LEU N N 65 118.539 118.539 118.395 0.144 19331 5756 1 17 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.092 -0.028 19331 5757 1 17 . 1 1 65 65 LEU C C 65 178.980 178.980 179.206 -0.226 19331 5758 1 17 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.769 -0.162 19331 5759 1 17 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.498 -0.521 19331 5760 1 17 . 1 1 65 65 LEU H H 65 7.744 7.744 7.642 0.102 19331 5761 1 17 . 1 1 66 66 HIS N N 66 115.422 115.422 117.151 -1.729 19331 5762 1 17 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.202 0.531 19331 5763 1 17 . 1 1 66 66 HIS C C 66 175.671 175.671 175.404 0.267 19331 5764 1 17 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.536 -1.408 19331 5765 1 17 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.096 -1.523 19331 5766 1 17 . 1 1 66 66 HIS H H 66 7.357 7.357 7.603 -0.246 19331 5767 1 17 . 1 1 67 67 SER N N 67 115.047 115.047 112.420 2.627 19331 5768 1 17 . 1 1 67 67 SER HA H 67 4.459 4.459 4.203 0.256 19331 5769 1 17 . 1 1 67 67 SER C C 67 175.003 175.003 175.203 -0.200 19331 5770 1 17 . 1 1 67 67 SER CA C 67 59.246 59.246 59.191 0.054 19331 5771 1 17 . 1 1 67 67 SER CB C 67 63.693 63.693 63.424 0.269 19331 5772 1 17 . 1 1 67 67 SER H H 67 7.859 7.859 7.771 0.088 19331 5773 1 17 . 1 1 68 68 GLY N N 68 110.437 110.437 109.374 1.063 19331 5774 1 17 . 1 1 68 68 GLY C C 68 173.812 173.812 174.402 -0.590 19331 5775 1 17 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.155 0.152 19331 5776 1 17 . 1 1 68 68 GLY H H 68 8.281 8.281 8.753 -0.472 19331 5777 1 17 . 1 1 69 69 GLU N N 69 120.321 120.321 122.325 -2.004 19331 5778 1 17 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.362 -0.082 19331 5779 1 17 . 1 1 69 69 GLU C C 69 176.124 176.124 175.178 0.946 19331 5780 1 17 . 1 1 69 69 GLU CA C 69 56.393 56.393 55.877 0.516 19331 5781 1 17 . 1 1 69 69 GLU CB C 69 30.396 30.396 30.602 -0.206 19331 5782 1 17 . 1 1 69 69 GLU H H 69 8.069 8.069 8.068 0.001 19331 5783 1 17 . 1 1 70 70 LYS N N 70 123.278 123.278 118.131 5.147 19331 5784 1 17 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.060 0.534 19331 5785 1 17 . 1 1 70 70 LYS CA C 70 54.065 54.065 56.087 -2.022 19331 5786 1 17 . 1 1 70 70 LYS CB C 70 32.557 32.557 31.689 0.868 19331 5787 1 17 . 1 1 70 70 LYS H H 70 8.349 8.349 8.245 0.104 19331 5788 1 17 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.319 0.072 19331 5789 1 17 . 1 1 71 71 PRO C C 71 176.178 176.178 177.301 -1.123 19331 5790 1 17 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.912 0.231 19331 5791 1 17 . 1 1 71 71 PRO CB C 71 31.837 31.837 31.953 -0.116 19331 5792 1 17 . 1 1 72 72 PHE N N 72 120.324 120.324 122.146 -1.822 19331 5793 1 17 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.297 0.309 19331 5794 1 17 . 1 1 72 72 PHE C C 72 174.546 174.546 176.816 -2.270 19331 5795 1 17 . 1 1 72 72 PHE CA C 72 57.543 57.543 59.435 -1.892 19331 5796 1 17 . 1 1 72 72 PHE CB C 72 39.501 39.501 38.721 0.780 19331 5797 1 17 . 1 1 72 72 PHE H H 72 8.177 8.177 8.153 0.024 19331 5798 1 18 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.319 -0.059 19331 5799 1 18 . 1 1 12 12 PRO C C 12 175.377 175.377 175.915 -0.538 19331 5800 1 18 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.841 0.544 19331 5801 1 18 . 1 1 12 12 PRO CB C 12 32.069 32.069 31.332 0.737 19331 5802 1 18 . 1 1 13 13 ASN N N 13 123.885 123.885 121.669 2.216 19331 5803 1 18 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.803 -0.339 19331 5804 1 18 . 1 1 13 13 ASN C C 13 176.178 176.178 174.399 1.779 19331 5805 1 18 . 1 1 13 13 ASN CA C 13 54.834 54.834 53.764 1.070 19331 5806 1 18 . 1 1 13 13 ASN CB C 13 41.005 41.005 40.284 0.721 19331 5807 1 18 . 1 1 13 13 ASN H H 13 8.001 8.001 8.463 -0.462 19331 5808 1 18 . 1 1 14 14 GLY N N 14 113.831 113.831 110.036 3.795 19331 5809 1 18 . 1 1 14 14 GLY C C 14 174.152 174.152 173.102 1.050 19331 5810 1 18 . 1 1 14 14 GLY CA C 14 45.365 45.365 44.756 0.609 19331 5811 1 18 . 1 1 14 14 GLY H H 14 8.367 8.367 8.503 -0.136 19331 5812 1 18 . 1 1 15 15 LYS N N 15 119.903 119.903 121.846 -1.943 19331 5813 1 18 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.476 -0.179 19331 5814 1 18 . 1 1 15 15 LYS C C 15 176.217 176.217 176.241 -0.024 19331 5815 1 18 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.433 1.488 19331 5816 1 18 . 1 1 15 15 LYS CB C 15 32.804 32.804 33.825 -1.021 19331 5817 1 18 . 1 1 15 15 LYS H H 15 8.200 8.200 8.347 -0.147 19331 5818 1 18 . 1 1 16 16 LEU N N 16 122.670 122.670 123.097 -0.427 19331 5819 1 18 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.211 0.243 19331 5820 1 18 . 1 1 16 16 LEU C C 16 173.805 173.805 177.750 -3.945 19331 5821 1 18 . 1 1 16 16 LEU CA C 16 55.080 55.080 56.435 -1.355 19331 5822 1 18 . 1 1 16 16 LEU CB C 16 41.852 41.852 41.549 0.303 19331 5823 1 18 . 1 1 16 16 LEU H H 16 8.394 8.394 8.540 -0.146 19331 5824 1 18 . 1 1 17 17 LYS N N 17 120.445 120.445 118.891 1.554 19331 5825 1 18 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.440 0.437 19331 5826 1 18 . 1 1 17 17 LYS C C 17 175.777 175.777 174.978 0.799 19331 5827 1 18 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.564 -1.075 19331 5828 1 18 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.362 1.792 19331 5829 1 18 . 1 1 17 17 LYS H H 17 8.026 8.026 7.821 0.205 19331 5830 1 18 . 1 1 18 18 CYS N N 18 127.176 127.176 118.695 8.481 19331 5831 1 18 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.799 -0.572 19331 5832 1 18 . 1 1 18 18 CYS C C 18 176.551 176.551 173.885 2.666 19331 5833 1 18 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.064 2.613 19331 5834 1 18 . 1 1 18 18 CYS CB C 18 29.821 29.821 28.968 0.853 19331 5835 1 18 . 1 1 18 18 CYS H H 18 9.071 9.071 8.244 0.827 19331 5836 1 18 . 1 1 19 19 ASP N N 19 130.419 130.419 124.107 6.312 19331 5837 1 18 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.599 -0.235 19331 5838 1 18 . 1 1 19 19 ASP C C 19 175.433 175.433 176.410 -0.977 19331 5839 1 18 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.413 1.258 19331 5840 1 18 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.755 -2.142 19331 5841 1 18 . 1 1 19 19 ASP H H 19 9.137 9.137 8.317 0.820 19331 5842 1 18 . 1 1 20 20 VAL N N 20 123.067 123.067 121.275 1.792 19331 5843 1 18 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.174 -0.352 19331 5844 1 18 . 1 1 20 20 VAL C C 20 177.009 177.009 175.892 1.117 19331 5845 1 18 . 1 1 20 20 VAL CA C 20 65.362 65.362 62.666 2.696 19331 5846 1 18 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.422 0.548 19331 5847 1 18 . 1 1 20 20 VAL H H 20 9.022 9.022 7.882 1.140 19331 5848 1 18 . 1 1 21 21 CYS N N 21 115.484 115.484 126.227 -10.743 19331 5849 1 18 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.678 0.437 19331 5850 1 18 . 1 1 21 21 CYS C C 21 176.178 176.178 174.472 1.706 19331 5851 1 18 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.817 -0.750 19331 5852 1 18 . 1 1 21 21 CYS CB C 21 33.096 33.096 27.110 5.987 19331 5853 1 18 . 1 1 21 21 CYS H H 21 8.092 8.092 8.554 -0.462 19331 5854 1 18 . 1 1 22 22 GLY N N 22 113.222 113.222 116.031 -2.809 19331 5855 1 18 . 1 1 22 22 GLY C C 22 173.028 173.028 172.683 0.345 19331 5856 1 18 . 1 1 22 22 GLY CA C 22 45.741 45.741 45.447 0.294 19331 5857 1 18 . 1 1 22 22 GLY H H 22 7.931 7.931 8.269 -0.338 19331 5858 1 18 . 1 1 23 23 MET N N 23 122.930 122.930 124.251 -1.321 19331 5859 1 18 . 1 1 23 23 MET HA H 23 4.075 4.075 4.805 -0.730 19331 5860 1 18 . 1 1 23 23 MET C C 23 174.950 174.950 174.653 0.297 19331 5861 1 18 . 1 1 23 23 MET CA C 23 57.226 57.226 55.696 1.530 19331 5862 1 18 . 1 1 23 23 MET CB C 23 33.750 33.750 33.993 -0.243 19331 5863 1 18 . 1 1 23 23 MET H H 23 8.276 8.276 8.326 -0.050 19331 5864 1 18 . 1 1 24 24 VAL N N 24 126.800 126.800 125.737 1.063 19331 5865 1 18 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.478 -0.148 19331 5866 1 18 . 1 1 24 24 VAL C C 24 176.124 176.124 174.983 1.141 19331 5867 1 18 . 1 1 24 24 VAL CA C 24 62.581 62.581 61.767 0.814 19331 5868 1 18 . 1 1 24 24 VAL CB C 24 31.843 31.843 33.006 -1.163 19331 5869 1 18 . 1 1 24 24 VAL H H 24 8.466 8.466 8.407 0.059 19331 5870 1 18 . 1 1 25 25 CYS N N 25 125.377 125.377 125.801 -0.424 19331 5871 1 18 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.829 -0.100 19331 5872 1 18 . 1 1 25 25 CYS C C 25 173.829 173.829 175.032 -1.203 19331 5873 1 18 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.008 -0.498 19331 5874 1 18 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.650 2.999 19331 5875 1 18 . 1 1 25 25 CYS H H 25 8.720 8.720 8.269 0.451 19331 5876 1 18 . 1 1 26 26 ILE N N 26 119.435 119.435 121.306 -1.871 19331 5877 1 18 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.486 -0.316 19331 5878 1 18 . 1 1 26 26 ILE C C 26 175.334 175.334 175.812 -0.478 19331 5879 1 18 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.277 0.669 19331 5880 1 18 . 1 1 26 26 ILE CB C 26 37.870 37.870 38.756 -0.886 19331 5881 1 18 . 1 1 26 26 ILE H H 26 8.407 8.407 8.279 0.128 19331 5882 1 18 . 1 1 27 27 GLY N N 27 109.455 109.455 108.952 0.503 19331 5883 1 18 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.779 -0.181 19331 5884 1 18 . 1 1 27 27 GLY H H 27 7.444 7.444 8.369 -0.925 19331 5885 1 18 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.421 -0.241 19331 5886 1 18 . 1 1 28 28 PRO C C 28 178.526 178.526 177.172 1.354 19331 5887 1 18 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.044 2.970 19331 5888 1 18 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.643 -0.895 19331 5889 1 18 . 1 1 29 29 ASN N N 29 118.871 118.871 118.025 0.846 19331 5890 1 18 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.646 -0.072 19331 5891 1 18 . 1 1 29 29 ASN C C 29 176.925 176.925 176.811 0.114 19331 5892 1 18 . 1 1 29 29 ASN CA C 29 56.454 56.454 53.344 3.110 19331 5893 1 18 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.765 -0.284 19331 5894 1 18 . 1 1 29 29 ASN H H 29 8.722 8.722 8.538 0.184 19331 5895 1 18 . 1 1 30 30 VAL N N 30 120.904 120.904 121.459 -0.555 19331 5896 1 18 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.692 0.025 19331 5897 1 18 . 1 1 30 30 VAL C C 30 178.526 178.526 176.545 1.981 19331 5898 1 18 . 1 1 30 30 VAL CA C 30 65.881 65.881 65.429 0.452 19331 5899 1 18 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.789 0.051 19331 5900 1 18 . 1 1 30 30 VAL H H 30 7.475 7.475 7.950 -0.475 19331 5901 1 18 . 1 1 31 31 LEU N N 31 120.665 120.665 119.238 1.427 19331 5902 1 18 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.039 0.428 19331 5903 1 18 . 1 1 31 31 LEU C C 31 177.379 177.379 178.498 -1.119 19331 5904 1 18 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.272 0.830 19331 5905 1 18 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.711 -0.344 19331 5906 1 18 . 1 1 31 31 LEU H H 31 7.853 7.853 8.014 -0.161 19331 5907 1 18 . 1 1 32 32 MET N N 32 117.671 117.671 118.888 -1.217 19331 5908 1 18 . 1 1 32 32 MET HA H 32 4.099 4.099 4.154 -0.055 19331 5909 1 18 . 1 1 32 32 MET C C 32 178.927 178.927 178.054 0.873 19331 5910 1 18 . 1 1 32 32 MET CA C 32 59.015 59.015 58.928 0.087 19331 5911 1 18 . 1 1 32 32 MET CB C 32 32.105 32.105 32.502 -0.397 19331 5912 1 18 . 1 1 32 32 MET H H 32 7.974 7.974 7.760 0.214 19331 5913 1 18 . 1 1 33 33 VAL N N 33 119.384 119.384 118.207 1.177 19331 5914 1 18 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.588 -0.046 19331 5915 1 18 . 1 1 33 33 VAL C C 33 179.275 179.275 177.874 1.401 19331 5916 1 18 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.422 0.231 19331 5917 1 18 . 1 1 33 33 VAL CB C 33 31.815 31.815 30.601 1.214 19331 5918 1 18 . 1 1 33 33 VAL H H 33 7.747 7.747 8.428 -0.681 19331 5919 1 18 . 1 1 34 34 HIS N N 34 120.938 120.938 119.583 1.355 19331 5920 1 18 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.239 -0.019 19331 5921 1 18 . 1 1 34 34 HIS C C 34 178.486 178.486 177.444 1.042 19331 5922 1 18 . 1 1 34 34 HIS CA C 34 59.798 59.798 60.216 -0.418 19331 5923 1 18 . 1 1 34 34 HIS CB C 34 28.036 28.036 30.091 -2.055 19331 5924 1 18 . 1 1 34 34 HIS H H 34 8.664 8.664 8.043 0.621 19331 5925 1 18 . 1 1 35 35 LYS N N 35 119.725 119.725 119.523 0.202 19331 5926 1 18 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.035 -0.319 19331 5927 1 18 . 1 1 35 35 LYS C C 35 178.526 178.526 179.409 -0.883 19331 5928 1 18 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.608 1.058 19331 5929 1 18 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.315 -0.887 19331 5930 1 18 . 1 1 35 35 LYS H H 35 9.034 9.034 7.995 1.039 19331 5931 1 18 . 1 1 36 36 ARG N N 36 118.491 118.491 117.340 1.151 19331 5932 1 18 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.239 -0.090 19331 5933 1 18 . 1 1 36 36 ARG C C 36 177.752 177.752 177.808 -0.056 19331 5934 1 18 . 1 1 36 36 ARG CA C 36 58.107 58.107 57.450 0.657 19331 5935 1 18 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.378 0.336 19331 5936 1 18 . 1 1 36 36 ARG H H 36 7.458 7.458 7.905 -0.447 19331 5937 1 18 . 1 1 37 37 SER N N 37 113.811 113.811 111.697 2.114 19331 5938 1 18 . 1 1 37 37 SER HA H 37 4.202 4.202 4.274 -0.072 19331 5939 1 18 . 1 1 37 37 SER C C 37 174.576 174.576 175.585 -1.009 19331 5940 1 18 . 1 1 37 37 SER CA C 37 60.412 60.412 60.296 0.116 19331 5941 1 18 . 1 1 37 37 SER CB C 37 62.129 62.129 63.303 -1.174 19331 5942 1 18 . 1 1 37 37 SER H H 37 7.771 7.771 7.889 -0.118 19331 5943 1 18 . 1 1 38 38 HIS N N 38 118.829 118.829 119.373 -0.544 19331 5944 1 18 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.402 0.592 19331 5945 1 18 . 1 1 38 38 HIS C C 38 174.977 174.977 175.773 -0.796 19331 5946 1 18 . 1 1 38 38 HIS CA C 38 54.798 54.798 57.595 -2.797 19331 5947 1 18 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.581 -2.264 19331 5948 1 18 . 1 1 38 38 HIS H H 38 7.265 7.265 7.657 -0.392 19331 5949 1 18 . 1 1 39 39 THR N N 39 113.289 113.289 113.255 0.034 19331 5950 1 18 . 1 1 39 39 THR HA H 39 4.353 4.353 4.270 0.083 19331 5951 1 18 . 1 1 39 39 THR C C 39 174.977 174.977 174.663 0.314 19331 5952 1 18 . 1 1 39 39 THR CA C 39 62.252 62.252 61.375 0.877 19331 5953 1 18 . 1 1 39 39 THR CB C 39 69.773 69.773 69.824 -0.051 19331 5954 1 18 . 1 1 39 39 THR H H 39 7.814 7.814 7.639 0.175 19331 5955 1 18 . 1 1 40 40 GLY N N 40 110.879 110.879 110.534 0.345 19331 5956 1 18 . 1 1 40 40 GLY C C 40 173.802 173.802 174.198 -0.396 19331 5957 1 18 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.103 0.070 19331 5958 1 18 . 1 1 40 40 GLY H H 40 8.425 8.425 8.376 0.049 19331 5959 1 18 . 1 1 41 41 GLU N N 41 120.081 120.081 122.736 -2.655 19331 5960 1 18 . 1 1 41 41 GLU HA H 41 4.222 4.222 3.967 0.255 19331 5961 1 18 . 1 1 41 41 GLU C C 41 176.151 176.151 177.064 -0.913 19331 5962 1 18 . 1 1 41 41 GLU CA C 41 56.710 56.710 58.267 -1.557 19331 5963 1 18 . 1 1 41 41 GLU CB C 41 30.550 30.550 29.828 0.722 19331 5964 1 18 . 1 1 41 41 GLU H H 41 8.127 8.127 8.473 -0.346 19331 5965 1 18 . 1 1 42 42 ARG N N 42 121.379 121.379 120.182 1.197 19331 5966 1 18 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.477 0.053 19331 5967 1 18 . 1 1 42 42 ARG CA C 42 53.378 53.378 53.370 0.008 19331 5968 1 18 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.428 -0.403 19331 5969 1 18 . 1 1 42 42 ARG H H 42 8.370 8.370 7.846 0.524 19331 5970 1 18 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.339 -0.079 19331 5971 1 18 . 1 1 43 43 PRO C C 43 176.151 176.151 175.537 0.614 19331 5972 1 18 . 1 1 43 43 PRO CA C 43 63.652 63.652 61.744 1.908 19331 5973 1 18 . 1 1 43 43 PRO CB C 43 32.069 32.069 32.082 -0.013 19331 5974 1 18 . 1 1 44 44 PHE N N 44 116.589 116.589 124.695 -8.106 19331 5975 1 18 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.389 0.456 19331 5976 1 18 . 1 1 44 44 PHE C C 44 174.603 174.603 175.346 -0.743 19331 5977 1 18 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.663 -0.583 19331 5978 1 18 . 1 1 44 44 PHE CB C 44 39.654 39.654 37.841 1.813 19331 5979 1 18 . 1 1 44 44 PHE H H 44 7.659 7.659 8.023 -0.364 19331 5980 1 18 . 1 1 45 45 HIS N N 45 121.791 121.791 122.819 -1.028 19331 5981 1 18 . 1 1 45 45 HIS HA H 45 5.291 5.291 5.070 0.221 19331 5982 1 18 . 1 1 45 45 HIS C C 45 172.655 172.655 175.301 -2.646 19331 5983 1 18 . 1 1 45 45 HIS CA C 45 54.560 54.560 54.295 0.265 19331 5984 1 18 . 1 1 45 45 HIS CB C 45 31.774 31.774 31.260 0.514 19331 5985 1 18 . 1 1 45 45 HIS H H 45 9.070 9.070 8.207 0.863 19331 5986 1 18 . 1 1 46 46 CYS N N 46 125.392 125.392 127.334 -1.942 19331 5987 1 18 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.449 0.093 19331 5988 1 18 . 1 1 46 46 CYS C C 46 176.525 176.525 175.821 0.704 19331 5989 1 18 . 1 1 46 46 CYS CA C 46 59.233 59.233 58.793 0.440 19331 5990 1 18 . 1 1 46 46 CYS CB C 46 29.948 29.948 26.439 3.510 19331 5991 1 18 . 1 1 46 46 CYS H H 46 9.189 9.189 8.820 0.369 19331 5992 1 18 . 1 1 47 47 ASN N N 47 128.827 128.827 126.630 2.197 19331 5993 1 18 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.449 0.248 19331 5994 1 18 . 1 1 47 47 ASN C C 47 175.433 175.433 176.738 -1.305 19331 5995 1 18 . 1 1 47 47 ASN CA C 47 54.982 54.982 55.985 -1.003 19331 5996 1 18 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.553 -0.316 19331 5997 1 18 . 1 1 47 47 ASN H H 47 9.302 9.302 8.726 0.576 19331 5998 1 18 . 1 1 48 48 GLN N N 48 120.952 120.952 119.733 1.219 19331 5999 1 18 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.280 0.027 19331 6000 1 18 . 1 1 48 48 GLN C C 48 176.151 176.151 175.018 1.133 19331 6001 1 18 . 1 1 48 48 GLN CA C 48 57.832 57.832 55.177 2.655 19331 6002 1 18 . 1 1 48 48 GLN CB C 48 29.163 29.163 26.442 2.721 19331 6003 1 18 . 1 1 48 48 GLN H H 48 9.139 9.139 8.387 0.752 19331 6004 1 18 . 1 1 49 49 CYS N N 49 116.176 116.176 116.715 -0.539 19331 6005 1 18 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.514 0.635 19331 6006 1 18 . 1 1 49 49 CYS C C 49 175.430 175.430 175.124 0.306 19331 6007 1 18 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.261 -0.912 19331 6008 1 18 . 1 1 49 49 CYS CB C 49 32.264 32.264 28.221 4.043 19331 6009 1 18 . 1 1 49 49 CYS H H 49 8.117 8.117 7.769 0.348 19331 6010 1 18 . 1 1 50 50 GLY N N 50 111.724 111.724 110.824 0.900 19331 6011 1 18 . 1 1 50 50 GLY C C 50 173.758 173.758 173.651 0.107 19331 6012 1 18 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.072 0.819 19331 6013 1 18 . 1 1 50 50 GLY H H 50 8.142 8.142 8.484 -0.342 19331 6014 1 18 . 1 1 51 51 ALA N N 51 126.041 126.041 123.389 2.652 19331 6015 1 18 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.321 -0.234 19331 6016 1 18 . 1 1 51 51 ALA C C 51 175.350 175.350 175.801 -0.451 19331 6017 1 18 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.751 1.754 19331 6018 1 18 . 1 1 51 51 ALA CB C 51 19.611 19.611 19.743 -0.132 19331 6019 1 18 . 1 1 51 51 ALA H H 51 8.420 8.420 7.444 0.976 19331 6020 1 18 . 1 1 52 52 SER N N 52 113.511 113.511 115.286 -1.775 19331 6021 1 18 . 1 1 52 52 SER HA H 52 5.255 5.255 4.724 0.531 19331 6022 1 18 . 1 1 52 52 SER C C 52 173.002 173.002 172.894 0.108 19331 6023 1 18 . 1 1 52 52 SER CA C 52 56.680 56.680 56.034 0.646 19331 6024 1 18 . 1 1 52 52 SER CB C 52 65.958 65.958 64.735 1.223 19331 6025 1 18 . 1 1 52 52 SER H H 52 7.829 7.829 7.805 0.024 19331 6026 1 18 . 1 1 53 53 PHE N N 53 117.376 117.376 122.530 -5.154 19331 6027 1 18 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.958 -0.080 19331 6028 1 18 . 1 1 53 53 PHE C C 53 174.977 174.977 175.541 -0.564 19331 6029 1 18 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.313 0.243 19331 6030 1 18 . 1 1 53 53 PHE CB C 53 43.874 43.874 43.490 0.384 19331 6031 1 18 . 1 1 53 53 PHE H H 53 8.802 8.802 8.540 0.262 19331 6032 1 18 . 1 1 54 54 THR N N 54 114.290 114.290 113.486 0.804 19331 6033 1 18 . 1 1 54 54 THR HA H 54 4.553 4.553 4.657 -0.104 19331 6034 1 18 . 1 1 54 54 THR C C 54 174.229 174.229 173.594 0.635 19331 6035 1 18 . 1 1 54 54 THR CA C 54 63.789 63.789 61.173 2.616 19331 6036 1 18 . 1 1 54 54 THR CB C 54 69.491 69.491 69.120 0.371 19331 6037 1 18 . 1 1 54 54 THR H H 54 9.129 9.129 8.437 0.692 19331 6038 1 18 . 1 1 55 55 GLN N N 55 117.684 117.684 120.474 -2.790 19331 6039 1 18 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.525 0.259 19331 6040 1 18 . 1 1 55 55 GLN C C 55 176.124 176.124 175.814 0.310 19331 6041 1 18 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.685 -0.620 19331 6042 1 18 . 1 1 55 55 GLN CB C 55 31.444 31.444 31.465 -0.021 19331 6043 1 18 . 1 1 55 55 GLN H H 55 7.563 7.563 7.919 -0.356 19331 6044 1 18 . 1 1 56 56 LYS N N 56 127.497 127.497 124.044 3.453 19331 6045 1 18 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.531 -0.740 19331 6046 1 18 . 1 1 56 56 LYS C C 56 178.179 178.179 178.316 -0.137 19331 6047 1 18 . 1 1 56 56 LYS CA C 56 59.297 59.297 58.945 0.352 19331 6048 1 18 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.952 -0.218 19331 6049 1 18 . 1 1 56 56 LYS H H 56 8.680 8.680 8.685 -0.005 19331 6050 1 18 . 1 1 57 57 GLY N N 57 105.111 105.111 107.245 -2.134 19331 6051 1 18 . 1 1 57 57 GLY C C 57 176.204 176.204 176.396 -0.192 19331 6052 1 18 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.300 -0.230 19331 6053 1 18 . 1 1 57 57 GLY H H 57 8.900 8.900 8.535 0.365 19331 6054 1 18 . 1 1 58 58 ASN N N 58 117.732 117.732 118.889 -1.157 19331 6055 1 18 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.401 0.047 19331 6056 1 18 . 1 1 58 58 ASN C C 58 177.325 177.325 176.725 0.600 19331 6057 1 18 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.007 -0.095 19331 6058 1 18 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.683 -0.221 19331 6059 1 18 . 1 1 58 58 ASN H H 58 6.958 6.958 8.282 -1.324 19331 6060 1 18 . 1 1 59 59 LEU N N 59 123.027 123.027 121.730 1.297 19331 6061 1 18 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.548 -0.422 19331 6062 1 18 . 1 1 59 59 LEU C C 59 177.352 177.352 177.876 -0.524 19331 6063 1 18 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.476 0.183 19331 6064 1 18 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.786 -1.876 19331 6065 1 18 . 1 1 59 59 LEU H H 59 6.885 6.885 7.090 -0.205 19331 6066 1 18 . 1 1 60 60 LEU N N 60 117.860 117.860 117.430 0.430 19331 6067 1 18 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.817 0.079 19331 6068 1 18 . 1 1 60 60 LEU C C 60 179.669 179.669 178.958 0.711 19331 6069 1 18 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.941 0.197 19331 6070 1 18 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.196 -0.564 19331 6071 1 18 . 1 1 60 60 LEU H H 60 8.078 8.078 8.211 -0.133 19331 6072 1 18 . 1 1 61 61 ARG N N 61 117.382 117.382 118.313 -0.931 19331 6073 1 18 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.961 -0.033 19331 6074 1 18 . 1 1 61 61 ARG C C 61 177.752 177.752 178.047 -0.295 19331 6075 1 18 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.782 0.476 19331 6076 1 18 . 1 1 61 61 ARG CB C 61 30.346 30.346 30.075 0.271 19331 6077 1 18 . 1 1 61 61 ARG H H 61 7.414 7.414 7.425 -0.011 19331 6078 1 18 . 1 1 62 62 HIS N N 62 119.118 119.118 118.107 1.011 19331 6079 1 18 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.424 -0.313 19331 6080 1 18 . 1 1 62 62 HIS C C 62 176.978 176.978 177.888 -0.910 19331 6081 1 18 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.413 0.153 19331 6082 1 18 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.811 -2.253 19331 6083 1 18 . 1 1 62 62 HIS H H 62 7.360 7.360 7.457 -0.097 19331 6084 1 18 . 1 1 63 63 ILE N N 63 116.662 116.662 116.884 -0.222 19331 6085 1 18 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.381 -0.712 19331 6086 1 18 . 1 1 63 63 ILE C C 63 178.526 178.526 177.420 1.106 19331 6087 1 18 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.087 1.788 19331 6088 1 18 . 1 1 63 63 ILE CB C 63 38.085 38.085 38.120 -0.035 19331 6089 1 18 . 1 1 63 63 ILE H H 63 8.500 8.500 8.395 0.105 19331 6090 1 18 . 1 1 64 64 LYS N N 64 119.456 119.456 120.289 -0.833 19331 6091 1 18 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.098 -0.030 19331 6092 1 18 . 1 1 64 64 LYS C C 64 178.553 178.553 178.099 0.454 19331 6093 1 18 . 1 1 64 64 LYS CA C 64 58.667 58.667 58.857 -0.190 19331 6094 1 18 . 1 1 64 64 LYS CB C 64 32.004 32.004 31.778 0.226 19331 6095 1 18 . 1 1 64 64 LYS H H 64 7.174 7.174 7.626 -0.452 19331 6096 1 18 . 1 1 65 65 LEU N N 65 118.539 118.539 117.865 0.674 19331 6097 1 18 . 1 1 65 65 LEU HA H 65 4.064 4.064 3.977 0.087 19331 6098 1 18 . 1 1 65 65 LEU C C 65 178.980 178.980 178.596 0.384 19331 6099 1 18 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.897 -0.290 19331 6100 1 18 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.614 -0.636 19331 6101 1 18 . 1 1 65 65 LEU H H 65 7.744 7.744 7.338 0.406 19331 6102 1 18 . 1 1 66 66 HIS N N 66 115.422 115.422 114.636 0.786 19331 6103 1 18 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.636 0.097 19331 6104 1 18 . 1 1 66 66 HIS C C 66 175.671 175.671 175.850 -0.179 19331 6105 1 18 . 1 1 66 66 HIS CA C 66 56.128 56.128 55.826 0.302 19331 6106 1 18 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.393 -1.821 19331 6107 1 18 . 1 1 66 66 HIS H H 66 7.357 7.357 7.301 0.056 19331 6108 1 18 . 1 1 67 67 SER N N 67 115.047 115.047 116.112 -1.065 19331 6109 1 18 . 1 1 67 67 SER HA H 67 4.459 4.459 4.408 0.051 19331 6110 1 18 . 1 1 67 67 SER C C 67 175.003 175.003 174.518 0.485 19331 6111 1 18 . 1 1 67 67 SER CA C 67 59.246 59.246 58.941 0.305 19331 6112 1 18 . 1 1 67 67 SER CB C 67 63.693 63.693 62.193 1.500 19331 6113 1 18 . 1 1 67 67 SER H H 67 7.859 7.859 7.486 0.373 19331 6114 1 18 . 1 1 68 68 GLY N N 68 110.437 110.437 116.440 -6.003 19331 6115 1 18 . 1 1 68 68 GLY C C 68 173.812 173.812 173.930 -0.118 19331 6116 1 18 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.904 -0.597 19331 6117 1 18 . 1 1 68 68 GLY H H 68 8.281 8.281 8.369 -0.088 19331 6118 1 18 . 1 1 69 69 GLU N N 69 120.321 120.321 124.116 -3.795 19331 6119 1 18 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.467 -0.187 19331 6120 1 18 . 1 1 69 69 GLU C C 69 176.124 176.124 175.459 0.665 19331 6121 1 18 . 1 1 69 69 GLU CA C 69 56.393 56.393 55.784 0.609 19331 6122 1 18 . 1 1 69 69 GLU CB C 69 30.396 30.396 30.089 0.307 19331 6123 1 18 . 1 1 69 69 GLU H H 69 8.069 8.069 8.588 -0.519 19331 6124 1 18 . 1 1 70 70 LYS N N 70 123.278 123.278 125.268 -1.990 19331 6125 1 18 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.770 -0.176 19331 6126 1 18 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.204 0.861 19331 6127 1 18 . 1 1 70 70 LYS CB C 70 32.557 32.557 33.107 -0.550 19331 6128 1 18 . 1 1 70 70 LYS H H 70 8.349 8.349 8.253 0.096 19331 6129 1 18 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.378 0.013 19331 6130 1 18 . 1 1 71 71 PRO C C 71 176.178 176.178 176.226 -0.048 19331 6131 1 18 . 1 1 71 71 PRO CA C 71 63.143 63.143 62.830 0.313 19331 6132 1 18 . 1 1 71 71 PRO CB C 71 31.837 31.837 32.262 -0.425 19331 6133 1 18 . 1 1 72 72 PHE N N 72 120.324 120.324 116.584 3.740 19331 6134 1 18 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.288 0.318 19331 6135 1 18 . 1 1 72 72 PHE C C 72 174.546 174.546 174.985 -0.439 19331 6136 1 18 . 1 1 72 72 PHE CA C 72 57.543 57.543 58.087 -0.544 19331 6137 1 18 . 1 1 72 72 PHE CB C 72 39.501 39.501 38.649 0.852 19331 6138 1 18 . 1 1 72 72 PHE H H 72 8.177 8.177 8.288 -0.111 19331 6139 1 19 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.627 -0.367 19331 6140 1 19 . 1 1 12 12 PRO C C 12 175.377 175.377 175.411 -0.034 19331 6141 1 19 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.795 0.590 19331 6142 1 19 . 1 1 12 12 PRO CB C 12 32.069 32.069 31.942 0.127 19331 6143 1 19 . 1 1 13 13 ASN N N 13 123.885 123.885 120.079 3.806 19331 6144 1 19 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.899 -0.435 19331 6145 1 19 . 1 1 13 13 ASN C C 13 176.178 176.178 173.981 2.197 19331 6146 1 19 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.738 2.096 19331 6147 1 19 . 1 1 13 13 ASN CB C 13 41.005 41.005 40.350 0.655 19331 6148 1 19 . 1 1 13 13 ASN H H 13 8.001 8.001 8.636 -0.635 19331 6149 1 19 . 1 1 14 14 GLY N N 14 113.831 113.831 108.196 5.635 19331 6150 1 19 . 1 1 14 14 GLY C C 14 174.152 174.152 173.029 1.123 19331 6151 1 19 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.099 0.266 19331 6152 1 19 . 1 1 14 14 GLY H H 14 8.367 8.367 8.282 0.085 19331 6153 1 19 . 1 1 15 15 LYS N N 15 119.903 119.903 121.192 -1.289 19331 6154 1 19 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.685 -0.388 19331 6155 1 19 . 1 1 15 15 LYS C C 15 176.217 176.217 175.841 0.376 19331 6156 1 19 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.757 1.164 19331 6157 1 19 . 1 1 15 15 LYS CB C 15 32.804 32.804 33.574 -0.770 19331 6158 1 19 . 1 1 15 15 LYS H H 15 8.200 8.200 8.330 -0.130 19331 6159 1 19 . 1 1 16 16 LEU N N 16 122.670 122.670 123.032 -0.362 19331 6160 1 19 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.628 -0.174 19331 6161 1 19 . 1 1 16 16 LEU C C 16 173.805 173.805 176.547 -2.742 19331 6162 1 19 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.189 0.891 19331 6163 1 19 . 1 1 16 16 LEU CB C 16 41.852 41.852 41.033 0.819 19331 6164 1 19 . 1 1 16 16 LEU H H 16 8.394 8.394 8.473 -0.079 19331 6165 1 19 . 1 1 17 17 LYS N N 17 120.445 120.445 123.333 -2.888 19331 6166 1 19 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.332 0.545 19331 6167 1 19 . 1 1 17 17 LYS C C 17 175.777 175.777 176.367 -0.590 19331 6168 1 19 . 1 1 17 17 LYS CA C 17 54.489 54.489 56.117 -1.628 19331 6169 1 19 . 1 1 17 17 LYS CB C 17 35.154 35.154 31.750 3.404 19331 6170 1 19 . 1 1 17 17 LYS H H 17 8.026 8.026 8.442 -0.416 19331 6171 1 19 . 1 1 18 18 CYS N N 18 127.176 127.176 124.354 2.822 19331 6172 1 19 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.387 -0.160 19331 6173 1 19 . 1 1 18 18 CYS C C 18 176.551 176.551 175.355 1.196 19331 6174 1 19 . 1 1 18 18 CYS CA C 18 60.677 60.677 59.412 1.265 19331 6175 1 19 . 1 1 18 18 CYS CB C 18 29.821 29.821 28.250 1.571 19331 6176 1 19 . 1 1 18 18 CYS H H 18 9.071 9.071 8.533 0.538 19331 6177 1 19 . 1 1 19 19 ASP N N 19 130.419 130.419 123.882 6.537 19331 6178 1 19 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.616 -0.252 19331 6179 1 19 . 1 1 19 19 ASP C C 19 175.433 175.433 175.785 -0.352 19331 6180 1 19 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.184 1.487 19331 6181 1 19 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.591 -1.978 19331 6182 1 19 . 1 1 19 19 ASP H H 19 9.137 9.137 8.324 0.813 19331 6183 1 19 . 1 1 20 20 VAL N N 20 123.067 123.067 122.337 0.730 19331 6184 1 19 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.330 -0.508 19331 6185 1 19 . 1 1 20 20 VAL C C 20 177.009 177.009 175.223 1.786 19331 6186 1 19 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.333 4.029 19331 6187 1 19 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.928 0.042 19331 6188 1 19 . 1 1 20 20 VAL H H 20 9.022 9.022 8.374 0.648 19331 6189 1 19 . 1 1 21 21 CYS N N 21 115.484 115.484 125.505 -10.021 19331 6190 1 19 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.710 0.405 19331 6191 1 19 . 1 1 21 21 CYS C C 21 176.178 176.178 174.755 1.423 19331 6192 1 19 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.063 0.004 19331 6193 1 19 . 1 1 21 21 CYS CB C 21 33.096 33.096 30.043 3.053 19331 6194 1 19 . 1 1 21 21 CYS H H 21 8.092 8.092 8.509 -0.417 19331 6195 1 19 . 1 1 22 22 GLY N N 22 113.222 113.222 113.480 -0.258 19331 6196 1 19 . 1 1 22 22 GLY C C 22 173.028 173.028 174.027 -0.999 19331 6197 1 19 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.570 1.171 19331 6198 1 19 . 1 1 22 22 GLY H H 22 7.931 7.931 8.355 -0.424 19331 6199 1 19 . 1 1 23 23 MET N N 23 122.930 122.930 123.079 -0.149 19331 6200 1 19 . 1 1 23 23 MET HA H 23 4.075 4.075 4.720 -0.645 19331 6201 1 19 . 1 1 23 23 MET C C 23 174.950 174.950 176.486 -1.536 19331 6202 1 19 . 1 1 23 23 MET CA C 23 57.226 57.226 55.272 1.954 19331 6203 1 19 . 1 1 23 23 MET CB C 23 33.750 33.750 32.895 0.855 19331 6204 1 19 . 1 1 23 23 MET H H 23 8.276 8.276 8.295 -0.019 19331 6205 1 19 . 1 1 24 24 VAL N N 24 126.800 126.800 120.487 6.313 19331 6206 1 19 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.281 0.049 19331 6207 1 19 . 1 1 24 24 VAL C C 24 176.124 176.124 175.448 0.676 19331 6208 1 19 . 1 1 24 24 VAL CA C 24 62.581 62.581 62.058 0.523 19331 6209 1 19 . 1 1 24 24 VAL CB C 24 31.843 31.843 32.641 -0.798 19331 6210 1 19 . 1 1 24 24 VAL H H 24 8.466 8.466 8.363 0.103 19331 6211 1 19 . 1 1 25 25 CYS N N 25 125.377 125.377 121.455 3.922 19331 6212 1 19 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.802 -0.073 19331 6213 1 19 . 1 1 25 25 CYS C C 25 173.829 173.829 174.006 -0.177 19331 6214 1 19 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.529 -1.020 19331 6215 1 19 . 1 1 25 25 CYS CB C 25 31.649 31.649 27.936 3.712 19331 6216 1 19 . 1 1 25 25 CYS H H 25 8.720 8.720 8.402 0.318 19331 6217 1 19 . 1 1 26 26 ILE N N 26 119.435 119.435 127.016 -7.581 19331 6218 1 19 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.423 -0.253 19331 6219 1 19 . 1 1 26 26 ILE C C 26 175.334 175.334 176.655 -1.321 19331 6220 1 19 . 1 1 26 26 ILE CA C 26 61.946 61.946 60.662 1.284 19331 6221 1 19 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.656 -1.786 19331 6222 1 19 . 1 1 26 26 ILE H H 26 8.407 8.407 8.358 0.049 19331 6223 1 19 . 1 1 27 27 GLY N N 27 109.455 109.455 111.798 -2.343 19331 6224 1 19 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.308 0.290 19331 6225 1 19 . 1 1 27 27 GLY H H 27 7.444 7.444 8.437 -0.993 19331 6226 1 19 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.519 -0.339 19331 6227 1 19 . 1 1 28 28 PRO C C 28 178.526 178.526 176.632 1.894 19331 6228 1 19 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.092 2.922 19331 6229 1 19 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.506 -0.758 19331 6230 1 19 . 1 1 29 29 ASN N N 29 118.871 118.871 119.975 -1.104 19331 6231 1 19 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.720 -0.146 19331 6232 1 19 . 1 1 29 29 ASN C C 29 176.925 176.925 175.860 1.065 19331 6233 1 19 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.655 3.799 19331 6234 1 19 . 1 1 29 29 ASN CB C 29 37.481 37.481 36.252 1.228 19331 6235 1 19 . 1 1 29 29 ASN H H 29 8.722 8.722 8.765 -0.043 19331 6236 1 19 . 1 1 30 30 VAL N N 30 120.904 120.904 115.680 5.224 19331 6237 1 19 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.610 0.107 19331 6238 1 19 . 1 1 30 30 VAL C C 30 178.526 178.526 177.263 1.263 19331 6239 1 19 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.924 0.957 19331 6240 1 19 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.707 0.133 19331 6241 1 19 . 1 1 30 30 VAL H H 30 7.475 7.475 7.473 0.002 19331 6242 1 19 . 1 1 31 31 LEU N N 31 120.665 120.665 119.448 1.217 19331 6243 1 19 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.265 0.202 19331 6244 1 19 . 1 1 31 31 LEU C C 31 177.379 177.379 179.572 -2.193 19331 6245 1 19 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.283 0.819 19331 6246 1 19 . 1 1 31 31 LEU CB C 31 41.367 41.367 40.379 0.988 19331 6247 1 19 . 1 1 31 31 LEU H H 31 7.853 7.853 8.077 -0.224 19331 6248 1 19 . 1 1 32 32 MET N N 32 117.671 117.671 118.747 -1.076 19331 6249 1 19 . 1 1 32 32 MET HA H 32 4.099 4.099 4.297 -0.198 19331 6250 1 19 . 1 1 32 32 MET C C 32 178.927 178.927 178.525 0.402 19331 6251 1 19 . 1 1 32 32 MET CA C 32 59.015 59.015 57.843 1.172 19331 6252 1 19 . 1 1 32 32 MET CB C 32 32.105 32.105 31.865 0.240 19331 6253 1 19 . 1 1 32 32 MET H H 32 7.974 7.974 7.443 0.531 19331 6254 1 19 . 1 1 33 33 VAL N N 33 119.384 119.384 119.360 0.024 19331 6255 1 19 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.606 -0.064 19331 6256 1 19 . 1 1 33 33 VAL C C 33 179.275 179.275 177.796 1.479 19331 6257 1 19 . 1 1 33 33 VAL CA C 33 66.653 66.653 65.962 0.691 19331 6258 1 19 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.221 0.594 19331 6259 1 19 . 1 1 33 33 VAL H H 33 7.747 7.747 8.103 -0.356 19331 6260 1 19 . 1 1 34 34 HIS N N 34 120.938 120.938 118.488 2.450 19331 6261 1 19 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.326 -0.106 19331 6262 1 19 . 1 1 34 34 HIS C C 34 178.486 178.486 177.553 0.933 19331 6263 1 19 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.731 0.067 19331 6264 1 19 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.752 -1.716 19331 6265 1 19 . 1 1 34 34 HIS H H 34 8.664 8.664 7.551 1.113 19331 6266 1 19 . 1 1 35 35 LYS N N 35 119.725 119.725 121.011 -1.286 19331 6267 1 19 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.293 -0.577 19331 6268 1 19 . 1 1 35 35 LYS C C 35 178.526 178.526 179.448 -0.922 19331 6269 1 19 . 1 1 35 35 LYS CA C 35 60.666 60.666 57.928 2.738 19331 6270 1 19 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.263 -0.835 19331 6271 1 19 . 1 1 35 35 LYS H H 35 9.034 9.034 8.154 0.880 19331 6272 1 19 . 1 1 36 36 ARG N N 36 118.491 118.491 119.593 -1.102 19331 6273 1 19 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.306 -0.157 19331 6274 1 19 . 1 1 36 36 ARG C C 36 177.752 177.752 177.893 -0.141 19331 6275 1 19 . 1 1 36 36 ARG CA C 36 58.107 58.107 57.706 0.401 19331 6276 1 19 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.680 0.035 19331 6277 1 19 . 1 1 36 36 ARG H H 36 7.458 7.458 8.298 -0.840 19331 6278 1 19 . 1 1 37 37 SER N N 37 113.811 113.811 112.640 1.171 19331 6279 1 19 . 1 1 37 37 SER HA H 37 4.202 4.202 4.310 -0.108 19331 6280 1 19 . 1 1 37 37 SER C C 37 174.576 174.576 174.620 -0.044 19331 6281 1 19 . 1 1 37 37 SER CA C 37 60.412 60.412 59.719 0.693 19331 6282 1 19 . 1 1 37 37 SER CB C 37 62.129 62.129 63.308 -1.179 19331 6283 1 19 . 1 1 37 37 SER H H 37 7.771 7.771 7.789 -0.018 19331 6284 1 19 . 1 1 38 38 HIS N N 38 118.829 118.829 118.917 -0.088 19331 6285 1 19 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.681 0.313 19331 6286 1 19 . 1 1 38 38 HIS C C 38 174.977 174.977 174.337 0.640 19331 6287 1 19 . 1 1 38 38 HIS CA C 38 54.798 54.798 56.573 -1.775 19331 6288 1 19 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.559 -2.243 19331 6289 1 19 . 1 1 38 38 HIS H H 38 7.265 7.265 7.739 -0.474 19331 6290 1 19 . 1 1 39 39 THR N N 39 113.289 113.289 113.429 -0.140 19331 6291 1 19 . 1 1 39 39 THR HA H 39 4.353 4.353 4.206 0.147 19331 6292 1 19 . 1 1 39 39 THR C C 39 174.977 174.977 175.488 -0.511 19331 6293 1 19 . 1 1 39 39 THR CA C 39 62.252 62.252 62.685 -0.434 19331 6294 1 19 . 1 1 39 39 THR CB C 39 69.773 69.773 68.505 1.268 19331 6295 1 19 . 1 1 39 39 THR H H 39 7.814 7.814 8.497 -0.683 19331 6296 1 19 . 1 1 40 40 GLY N N 40 110.879 110.879 109.226 1.653 19331 6297 1 19 . 1 1 40 40 GLY C C 40 173.802 173.802 175.170 -1.368 19331 6298 1 19 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.459 -0.286 19331 6299 1 19 . 1 1 40 40 GLY H H 40 8.425 8.425 8.262 0.163 19331 6300 1 19 . 1 1 41 41 GLU N N 41 120.081 120.081 121.340 -1.259 19331 6301 1 19 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.216 0.006 19331 6302 1 19 . 1 1 41 41 GLU C C 41 176.151 176.151 175.785 0.366 19331 6303 1 19 . 1 1 41 41 GLU CA C 41 56.710 56.710 55.953 0.757 19331 6304 1 19 . 1 1 41 41 GLU CB C 41 30.550 30.550 28.518 2.032 19331 6305 1 19 . 1 1 41 41 GLU H H 41 8.127 8.127 8.416 -0.289 19331 6306 1 19 . 1 1 42 42 ARG N N 42 121.379 121.379 124.183 -2.804 19331 6307 1 19 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.571 -0.041 19331 6308 1 19 . 1 1 42 42 ARG CA C 42 53.378 53.378 51.897 1.481 19331 6309 1 19 . 1 1 42 42 ARG CB C 42 30.025 30.025 30.507 -0.482 19331 6310 1 19 . 1 1 42 42 ARG H H 42 8.370 8.370 7.681 0.689 19331 6311 1 19 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.441 -0.181 19331 6312 1 19 . 1 1 43 43 PRO C C 43 176.151 176.151 176.165 -0.014 19331 6313 1 19 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.702 0.950 19331 6314 1 19 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.389 0.680 19331 6315 1 19 . 1 1 44 44 PHE N N 44 116.589 116.589 125.630 -9.041 19331 6316 1 19 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.390 0.455 19331 6317 1 19 . 1 1 44 44 PHE C C 44 174.603 174.603 175.379 -0.776 19331 6318 1 19 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.537 -0.457 19331 6319 1 19 . 1 1 44 44 PHE CB C 44 39.654 39.654 37.244 2.410 19331 6320 1 19 . 1 1 44 44 PHE H H 44 7.659 7.659 8.390 -0.731 19331 6321 1 19 . 1 1 45 45 HIS N N 45 121.791 121.791 123.859 -2.068 19331 6322 1 19 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.673 0.618 19331 6323 1 19 . 1 1 45 45 HIS C C 45 172.655 172.655 175.547 -2.892 19331 6324 1 19 . 1 1 45 45 HIS CA C 45 54.560 54.560 56.613 -2.053 19331 6325 1 19 . 1 1 45 45 HIS CB C 45 31.774 31.774 31.396 0.378 19331 6326 1 19 . 1 1 45 45 HIS H H 45 9.070 9.070 8.240 0.830 19331 6327 1 19 . 1 1 46 46 CYS N N 46 125.392 125.392 128.516 -3.124 19331 6328 1 19 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.376 0.166 19331 6329 1 19 . 1 1 46 46 CYS C C 46 176.525 176.525 174.861 1.664 19331 6330 1 19 . 1 1 46 46 CYS CA C 46 59.233 59.233 61.694 -2.461 19331 6331 1 19 . 1 1 46 46 CYS CB C 46 29.948 29.948 27.174 2.774 19331 6332 1 19 . 1 1 46 46 CYS H H 46 9.189 9.189 8.542 0.647 19331 6333 1 19 . 1 1 47 47 ASN N N 47 128.827 128.827 115.074 13.753 19331 6334 1 19 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.851 -0.154 19331 6335 1 19 . 1 1 47 47 ASN C C 47 175.433 175.433 174.347 1.086 19331 6336 1 19 . 1 1 47 47 ASN CA C 47 54.982 54.982 54.533 0.449 19331 6337 1 19 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.655 -0.418 19331 6338 1 19 . 1 1 47 47 ASN H H 47 9.302 9.302 8.534 0.768 19331 6339 1 19 . 1 1 48 48 GLN N N 48 120.952 120.952 119.486 1.466 19331 6340 1 19 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.603 -0.296 19331 6341 1 19 . 1 1 48 48 GLN C C 48 176.151 176.151 175.929 0.222 19331 6342 1 19 . 1 1 48 48 GLN CA C 48 57.832 57.832 56.432 1.400 19331 6343 1 19 . 1 1 48 48 GLN CB C 48 29.163 29.163 29.146 0.017 19331 6344 1 19 . 1 1 48 48 GLN H H 48 9.139 9.139 8.645 0.494 19331 6345 1 19 . 1 1 49 49 CYS N N 49 116.176 116.176 116.974 -0.798 19331 6346 1 19 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.789 0.360 19331 6347 1 19 . 1 1 49 49 CYS C C 49 175.430 175.430 176.507 -1.077 19331 6348 1 19 . 1 1 49 49 CYS CA C 49 58.349 58.349 57.947 0.403 19331 6349 1 19 . 1 1 49 49 CYS CB C 49 32.264 32.264 27.276 4.988 19331 6350 1 19 . 1 1 49 49 CYS H H 49 8.117 8.117 8.519 -0.402 19331 6351 1 19 . 1 1 50 50 GLY N N 50 111.724 111.724 110.500 1.224 19331 6352 1 19 . 1 1 50 50 GLY C C 50 173.758 173.758 174.119 -0.361 19331 6353 1 19 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.123 0.767 19331 6354 1 19 . 1 1 50 50 GLY H H 50 8.142 8.142 8.332 -0.190 19331 6355 1 19 . 1 1 51 51 ALA N N 51 126.041 126.041 125.059 0.982 19331 6356 1 19 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.065 0.022 19331 6357 1 19 . 1 1 51 51 ALA C C 51 175.350 175.350 175.662 -0.312 19331 6358 1 19 . 1 1 51 51 ALA CA C 51 53.505 53.505 52.465 1.040 19331 6359 1 19 . 1 1 51 51 ALA CB C 51 19.611 19.611 18.684 0.927 19331 6360 1 19 . 1 1 51 51 ALA H H 51 8.420 8.420 7.835 0.585 19331 6361 1 19 . 1 1 52 52 SER N N 52 113.511 113.511 116.478 -2.967 19331 6362 1 19 . 1 1 52 52 SER HA H 52 5.255 5.255 4.796 0.459 19331 6363 1 19 . 1 1 52 52 SER C C 52 173.002 173.002 173.156 -0.154 19331 6364 1 19 . 1 1 52 52 SER CA C 52 56.680 56.680 57.268 -0.588 19331 6365 1 19 . 1 1 52 52 SER CB C 52 65.958 65.958 65.993 -0.035 19331 6366 1 19 . 1 1 52 52 SER H H 52 7.829 7.829 7.618 0.211 19331 6367 1 19 . 1 1 53 53 PHE N N 53 117.376 117.376 123.912 -6.536 19331 6368 1 19 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.962 -0.084 19331 6369 1 19 . 1 1 53 53 PHE C C 53 174.977 174.977 176.303 -1.326 19331 6370 1 19 . 1 1 53 53 PHE CA C 53 57.556 57.556 56.606 0.950 19331 6371 1 19 . 1 1 53 53 PHE CB C 53 43.874 43.874 41.914 1.960 19331 6372 1 19 . 1 1 53 53 PHE H H 53 8.802 8.802 8.805 -0.003 19331 6373 1 19 . 1 1 54 54 THR N N 54 114.290 114.290 112.983 1.307 19331 6374 1 19 . 1 1 54 54 THR HA H 54 4.553 4.553 4.552 0.001 19331 6375 1 19 . 1 1 54 54 THR C C 54 174.229 174.229 173.828 0.401 19331 6376 1 19 . 1 1 54 54 THR CA C 54 63.789 63.789 61.944 1.845 19331 6377 1 19 . 1 1 54 54 THR CB C 54 69.491 69.491 69.289 0.202 19331 6378 1 19 . 1 1 54 54 THR H H 54 9.129 9.129 8.365 0.764 19331 6379 1 19 . 1 1 55 55 GLN N N 55 117.684 117.684 120.455 -2.771 19331 6380 1 19 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.699 0.085 19331 6381 1 19 . 1 1 55 55 GLN C C 55 176.124 176.124 175.968 0.156 19331 6382 1 19 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.823 -0.758 19331 6383 1 19 . 1 1 55 55 GLN CB C 55 31.444 31.444 31.260 0.184 19331 6384 1 19 . 1 1 55 55 GLN H H 55 7.563 7.563 8.052 -0.489 19331 6385 1 19 . 1 1 56 56 LYS N N 56 127.497 127.497 124.513 2.984 19331 6386 1 19 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.414 -0.623 19331 6387 1 19 . 1 1 56 56 LYS C C 56 178.179 178.179 177.569 0.610 19331 6388 1 19 . 1 1 56 56 LYS CA C 56 59.297 59.297 58.705 0.592 19331 6389 1 19 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.518 0.216 19331 6390 1 19 . 1 1 56 56 LYS H H 56 8.680 8.680 8.511 0.169 19331 6391 1 19 . 1 1 57 57 GLY N N 57 105.111 105.111 107.514 -2.403 19331 6392 1 19 . 1 1 57 57 GLY C C 57 176.204 176.204 175.794 0.410 19331 6393 1 19 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.033 0.037 19331 6394 1 19 . 1 1 57 57 GLY H H 57 8.900 8.900 8.792 0.108 19331 6395 1 19 . 1 1 58 58 ASN N N 58 117.732 117.732 119.836 -2.104 19331 6396 1 19 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.372 0.076 19331 6397 1 19 . 1 1 58 58 ASN C C 58 177.325 177.325 176.714 0.611 19331 6398 1 19 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.157 -0.245 19331 6399 1 19 . 1 1 58 58 ASN CB C 58 37.462 37.462 38.016 -0.554 19331 6400 1 19 . 1 1 58 58 ASN H H 58 6.958 6.958 7.378 -0.420 19331 6401 1 19 . 1 1 59 59 LEU N N 59 123.027 123.027 122.316 0.711 19331 6402 1 19 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.791 -0.665 19331 6403 1 19 . 1 1 59 59 LEU C C 59 177.352 177.352 177.677 -0.325 19331 6404 1 19 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.748 -0.089 19331 6405 1 19 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.809 -1.899 19331 6406 1 19 . 1 1 59 59 LEU H H 59 6.885 6.885 7.254 -0.369 19331 6407 1 19 . 1 1 60 60 LEU N N 60 117.860 117.860 117.744 0.116 19331 6408 1 19 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.878 0.018 19331 6409 1 19 . 1 1 60 60 LEU C C 60 179.669 179.669 179.127 0.542 19331 6410 1 19 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.730 0.408 19331 6411 1 19 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.137 -0.505 19331 6412 1 19 . 1 1 60 60 LEU H H 60 8.078 8.078 8.280 -0.202 19331 6413 1 19 . 1 1 61 61 ARG N N 61 117.382 117.382 118.963 -1.581 19331 6414 1 19 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.938 -0.010 19331 6415 1 19 . 1 1 61 61 ARG C C 61 177.752 177.752 178.413 -0.661 19331 6416 1 19 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.782 0.476 19331 6417 1 19 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.752 0.594 19331 6418 1 19 . 1 1 61 61 ARG H H 61 7.414 7.414 7.551 -0.137 19331 6419 1 19 . 1 1 62 62 HIS N N 62 119.118 119.118 119.013 0.105 19331 6420 1 19 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.427 -0.316 19331 6421 1 19 . 1 1 62 62 HIS C C 62 176.978 176.978 177.791 -0.813 19331 6422 1 19 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.459 0.108 19331 6423 1 19 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.332 -1.774 19331 6424 1 19 . 1 1 62 62 HIS H H 62 7.360 7.360 7.431 -0.071 19331 6425 1 19 . 1 1 63 63 ILE N N 63 116.662 116.662 114.930 1.732 19331 6426 1 19 . 1 1 63 63 ILE HA H 63 3.669 3.669 3.767 -0.098 19331 6427 1 19 . 1 1 63 63 ILE C C 63 178.526 178.526 177.440 1.086 19331 6428 1 19 . 1 1 63 63 ILE CA C 63 65.875 65.875 63.706 2.168 19331 6429 1 19 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.670 0.415 19331 6430 1 19 . 1 1 63 63 ILE H H 63 8.500 8.500 8.307 0.193 19331 6431 1 19 . 1 1 64 64 LYS N N 64 119.456 119.456 120.736 -1.280 19331 6432 1 19 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.101 -0.033 19331 6433 1 19 . 1 1 64 64 LYS C C 64 178.553 178.553 178.919 -0.366 19331 6434 1 19 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.318 -0.651 19331 6435 1 19 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.282 -0.278 19331 6436 1 19 . 1 1 64 64 LYS H H 64 7.174 7.174 7.556 -0.382 19331 6437 1 19 . 1 1 65 65 LEU N N 65 118.539 118.539 116.748 1.791 19331 6438 1 19 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.137 -0.073 19331 6439 1 19 . 1 1 65 65 LEU C C 65 178.980 178.980 177.723 1.257 19331 6440 1 19 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.129 0.478 19331 6441 1 19 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.567 -0.590 19331 6442 1 19 . 1 1 65 65 LEU H H 65 7.744 7.744 7.296 0.448 19331 6443 1 19 . 1 1 66 66 HIS N N 66 115.422 115.422 115.663 -0.241 19331 6444 1 19 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.338 0.395 19331 6445 1 19 . 1 1 66 66 HIS C C 66 175.671 175.671 175.557 0.114 19331 6446 1 19 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.663 -1.535 19331 6447 1 19 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.282 -1.710 19331 6448 1 19 . 1 1 66 66 HIS H H 66 7.357 7.357 7.811 -0.454 19331 6449 1 19 . 1 1 67 67 SER N N 67 115.047 115.047 112.658 2.389 19331 6450 1 19 . 1 1 67 67 SER HA H 67 4.459 4.459 4.700 -0.241 19331 6451 1 19 . 1 1 67 67 SER C C 67 175.003 175.003 175.259 -0.256 19331 6452 1 19 . 1 1 67 67 SER CA C 67 59.246 59.246 56.855 2.391 19331 6453 1 19 . 1 1 67 67 SER CB C 67 63.693 63.693 64.957 -1.264 19331 6454 1 19 . 1 1 67 67 SER H H 67 7.859 7.859 7.794 0.065 19331 6455 1 19 . 1 1 68 68 GLY N N 68 110.437 110.437 108.344 2.093 19331 6456 1 19 . 1 1 68 68 GLY C C 68 173.812 173.812 173.688 0.124 19331 6457 1 19 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.779 -0.472 19331 6458 1 19 . 1 1 68 68 GLY H H 68 8.281 8.281 8.603 -0.322 19331 6459 1 19 . 1 1 69 69 GLU N N 69 120.321 120.321 117.651 2.670 19331 6460 1 19 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.608 -0.328 19331 6461 1 19 . 1 1 69 69 GLU C C 69 176.124 176.124 174.578 1.546 19331 6462 1 19 . 1 1 69 69 GLU CA C 69 56.393 56.393 55.748 0.645 19331 6463 1 19 . 1 1 69 69 GLU CB C 69 30.396 30.396 31.471 -1.075 19331 6464 1 19 . 1 1 69 69 GLU H H 69 8.069 8.069 7.596 0.473 19331 6465 1 19 . 1 1 70 70 LYS N N 70 123.278 123.278 122.904 0.374 19331 6466 1 19 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.639 -0.045 19331 6467 1 19 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.594 0.471 19331 6468 1 19 . 1 1 70 70 LYS CB C 70 32.557 32.557 34.000 -1.443 19331 6469 1 19 . 1 1 70 70 LYS H H 70 8.349 8.349 8.509 -0.160 19331 6470 1 19 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.456 -0.065 19331 6471 1 19 . 1 1 71 71 PRO C C 71 176.178 176.178 176.202 -0.024 19331 6472 1 19 . 1 1 71 71 PRO CA C 71 63.143 63.143 63.042 0.101 19331 6473 1 19 . 1 1 71 71 PRO CB C 71 31.837 31.837 31.736 0.101 19331 6474 1 19 . 1 1 72 72 PHE N N 72 120.324 120.324 126.006 -5.682 19331 6475 1 19 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.384 0.222 19331 6476 1 19 . 1 1 72 72 PHE C C 72 174.546 174.546 175.041 -0.495 19331 6477 1 19 . 1 1 72 72 PHE CA C 72 57.543 57.543 57.849 -0.306 19331 6478 1 19 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.071 0.430 19331 6479 1 19 . 1 1 72 72 PHE H H 72 8.177 8.177 8.423 -0.246 19331 6480 1 20 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.470 -0.210 19331 6481 1 20 . 1 1 12 12 PRO C C 12 175.377 175.377 176.183 -0.806 19331 6482 1 20 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.381 1.004 19331 6483 1 20 . 1 1 12 12 PRO CB C 12 32.069 32.069 31.999 0.070 19331 6484 1 20 . 1 1 13 13 ASN N N 13 123.885 123.885 120.929 2.956 19331 6485 1 20 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.629 -0.165 19331 6486 1 20 . 1 1 13 13 ASN C C 13 176.178 176.178 175.717 0.461 19331 6487 1 20 . 1 1 13 13 ASN CA C 13 54.834 54.834 53.078 1.756 19331 6488 1 20 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.047 1.958 19331 6489 1 20 . 1 1 13 13 ASN H H 13 8.001 8.001 8.463 -0.462 19331 6490 1 20 . 1 1 14 14 GLY N N 14 113.831 113.831 108.558 5.273 19331 6491 1 20 . 1 1 14 14 GLY C C 14 174.152 174.152 174.178 -0.026 19331 6492 1 20 . 1 1 14 14 GLY CA C 14 45.365 45.365 44.836 0.529 19331 6493 1 20 . 1 1 14 14 GLY H H 14 8.367 8.367 8.583 -0.216 19331 6494 1 20 . 1 1 15 15 LYS N N 15 119.903 119.903 125.517 -5.614 19331 6495 1 20 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.485 -0.188 19331 6496 1 20 . 1 1 15 15 LYS C C 15 176.217 176.217 175.933 0.284 19331 6497 1 20 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.296 1.625 19331 6498 1 20 . 1 1 15 15 LYS CB C 15 32.804 32.804 31.936 0.868 19331 6499 1 20 . 1 1 15 15 LYS H H 15 8.200 8.200 8.464 -0.264 19331 6500 1 20 . 1 1 16 16 LEU N N 16 122.670 122.670 124.165 -1.495 19331 6501 1 20 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.539 -0.085 19331 6502 1 20 . 1 1 16 16 LEU C C 16 173.805 173.805 176.523 -2.718 19331 6503 1 20 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.915 0.165 19331 6504 1 20 . 1 1 16 16 LEU CB C 16 41.852 41.852 41.014 0.838 19331 6505 1 20 . 1 1 16 16 LEU H H 16 8.394 8.394 8.456 -0.062 19331 6506 1 20 . 1 1 17 17 LYS N N 17 120.445 120.445 125.638 -5.193 19331 6507 1 20 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.559 0.318 19331 6508 1 20 . 1 1 17 17 LYS C C 17 175.777 175.777 174.786 0.991 19331 6509 1 20 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.670 -1.181 19331 6510 1 20 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.812 1.342 19331 6511 1 20 . 1 1 17 17 LYS H H 17 8.026 8.026 8.727 -0.701 19331 6512 1 20 . 1 1 18 18 CYS N N 18 127.176 127.176 119.161 8.015 19331 6513 1 20 . 1 1 18 18 CYS HA H 18 4.227 4.227 5.177 -0.950 19331 6514 1 20 . 1 1 18 18 CYS C C 18 176.551 176.551 173.604 2.947 19331 6515 1 20 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.785 1.891 19331 6516 1 20 . 1 1 18 18 CYS CB C 18 29.821 29.821 29.291 0.530 19331 6517 1 20 . 1 1 18 18 CYS H H 18 9.071 9.071 9.156 -0.085 19331 6518 1 20 . 1 1 19 19 ASP N N 19 130.419 130.419 121.343 9.076 19331 6519 1 20 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.453 -0.089 19331 6520 1 20 . 1 1 19 19 ASP C C 19 175.433 175.433 174.977 0.456 19331 6521 1 20 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.448 1.223 19331 6522 1 20 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.039 -1.426 19331 6523 1 20 . 1 1 19 19 ASP H H 19 9.137 9.137 8.646 0.491 19331 6524 1 20 . 1 1 20 20 VAL N N 20 123.067 123.067 124.723 -1.656 19331 6525 1 20 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.006 -0.184 19331 6526 1 20 . 1 1 20 20 VAL C C 20 177.009 177.009 176.754 0.255 19331 6527 1 20 . 1 1 20 20 VAL CA C 20 65.362 65.362 62.916 2.446 19331 6528 1 20 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.151 0.819 19331 6529 1 20 . 1 1 20 20 VAL H H 20 9.022 9.022 8.744 0.278 19331 6530 1 20 . 1 1 21 21 CYS N N 21 115.484 115.484 119.139 -3.655 19331 6531 1 20 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.192 0.923 19331 6532 1 20 . 1 1 21 21 CYS C C 21 176.178 176.178 174.754 1.424 19331 6533 1 20 . 1 1 21 21 CYS CA C 21 58.067 58.067 59.123 -1.056 19331 6534 1 20 . 1 1 21 21 CYS CB C 21 33.096 33.096 25.872 7.224 19331 6535 1 20 . 1 1 21 21 CYS H H 21 8.092 8.092 8.237 -0.145 19331 6536 1 20 . 1 1 22 22 GLY N N 22 113.222 113.222 107.677 5.545 19331 6537 1 20 . 1 1 22 22 GLY C C 22 173.028 173.028 171.793 1.235 19331 6538 1 20 . 1 1 22 22 GLY CA C 22 45.741 45.741 45.041 0.700 19331 6539 1 20 . 1 1 22 22 GLY H H 22 7.931 7.931 7.694 0.237 19331 6540 1 20 . 1 1 23 23 MET N N 23 122.930 122.930 117.110 5.820 19331 6541 1 20 . 1 1 23 23 MET HA H 23 4.075 4.075 4.706 -0.631 19331 6542 1 20 . 1 1 23 23 MET C C 23 174.950 174.950 174.931 0.019 19331 6543 1 20 . 1 1 23 23 MET CA C 23 57.226 57.226 55.674 1.552 19331 6544 1 20 . 1 1 23 23 MET CB C 23 33.750 33.750 34.304 -0.554 19331 6545 1 20 . 1 1 23 23 MET H H 23 8.276 8.276 7.921 0.355 19331 6546 1 20 . 1 1 24 24 VAL N N 24 126.800 126.800 121.534 5.266 19331 6547 1 20 . 1 1 24 24 VAL HA H 24 4.330 4.330 3.812 0.518 19331 6548 1 20 . 1 1 24 24 VAL C C 24 176.124 176.124 174.249 1.875 19331 6549 1 20 . 1 1 24 24 VAL CA C 24 62.581 62.581 63.804 -1.224 19331 6550 1 20 . 1 1 24 24 VAL CB C 24 31.843 31.843 30.868 0.975 19331 6551 1 20 . 1 1 24 24 VAL H H 24 8.466 8.466 8.208 0.258 19331 6552 1 20 . 1 1 25 25 CYS N N 25 125.377 125.377 124.014 1.363 19331 6553 1 20 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.729 -0.000 19331 6554 1 20 . 1 1 25 25 CYS C C 25 173.829 173.829 174.103 -0.274 19331 6555 1 20 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.032 -0.522 19331 6556 1 20 . 1 1 25 25 CYS CB C 25 31.649 31.649 29.590 2.059 19331 6557 1 20 . 1 1 25 25 CYS H H 25 8.720 8.720 8.050 0.670 19331 6558 1 20 . 1 1 26 26 ILE N N 26 119.435 119.435 121.431 -1.996 19331 6559 1 20 . 1 1 26 26 ILE HA H 26 4.170 4.170 3.976 0.194 19331 6560 1 20 . 1 1 26 26 ILE C C 26 175.334 175.334 175.709 -0.375 19331 6561 1 20 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.555 0.391 19331 6562 1 20 . 1 1 26 26 ILE CB C 26 37.870 37.870 37.847 0.022 19331 6563 1 20 . 1 1 26 26 ILE H H 26 8.407 8.407 8.314 0.093 19331 6564 1 20 . 1 1 27 27 GLY N N 27 109.455 109.455 114.868 -5.413 19331 6565 1 20 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.105 0.493 19331 6566 1 20 . 1 1 27 27 GLY H H 27 7.444 7.444 8.303 -0.859 19331 6567 1 20 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.442 -0.262 19331 6568 1 20 . 1 1 28 28 PRO C C 28 178.526 178.526 176.681 1.845 19331 6569 1 20 . 1 1 28 28 PRO CA C 28 65.014 65.014 61.967 3.047 19331 6570 1 20 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.994 -1.246 19331 6571 1 20 . 1 1 29 29 ASN N N 29 118.871 118.871 116.723 2.148 19331 6572 1 20 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.654 -0.080 19331 6573 1 20 . 1 1 29 29 ASN C C 29 176.925 176.925 176.389 0.536 19331 6574 1 20 . 1 1 29 29 ASN CA C 29 56.454 56.454 52.657 3.797 19331 6575 1 20 . 1 1 29 29 ASN CB C 29 37.481 37.481 38.362 -0.881 19331 6576 1 20 . 1 1 29 29 ASN H H 29 8.722 8.722 8.532 0.190 19331 6577 1 20 . 1 1 30 30 VAL N N 30 120.904 120.904 118.094 2.810 19331 6578 1 20 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.871 -0.154 19331 6579 1 20 . 1 1 30 30 VAL C C 30 178.526 178.526 176.591 1.935 19331 6580 1 20 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.622 1.259 19331 6581 1 20 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.583 0.257 19331 6582 1 20 . 1 1 30 30 VAL H H 30 7.475 7.475 7.767 -0.292 19331 6583 1 20 . 1 1 31 31 LEU N N 31 120.665 120.665 120.812 -0.147 19331 6584 1 20 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.010 0.457 19331 6585 1 20 . 1 1 31 31 LEU C C 31 177.379 177.379 178.480 -1.101 19331 6586 1 20 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.499 0.603 19331 6587 1 20 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.754 -0.387 19331 6588 1 20 . 1 1 31 31 LEU H H 31 7.853 7.853 7.696 0.157 19331 6589 1 20 . 1 1 32 32 MET N N 32 117.671 117.671 118.305 -0.634 19331 6590 1 20 . 1 1 32 32 MET HA H 32 4.099 4.099 4.178 -0.079 19331 6591 1 20 . 1 1 32 32 MET C C 32 178.927 178.927 178.094 0.833 19331 6592 1 20 . 1 1 32 32 MET CA C 32 59.015 59.015 58.804 0.211 19331 6593 1 20 . 1 1 32 32 MET CB C 32 32.105 32.105 32.427 -0.322 19331 6594 1 20 . 1 1 32 32 MET H H 32 7.974 7.974 7.566 0.408 19331 6595 1 20 . 1 1 33 33 VAL N N 33 119.384 119.384 119.142 0.242 19331 6596 1 20 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.553 -0.011 19331 6597 1 20 . 1 1 33 33 VAL C C 33 179.275 179.275 177.209 2.066 19331 6598 1 20 . 1 1 33 33 VAL CA C 33 66.653 66.653 65.382 1.271 19331 6599 1 20 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.726 0.089 19331 6600 1 20 . 1 1 33 33 VAL H H 33 7.747 7.747 7.578 0.169 19331 6601 1 20 . 1 1 34 34 HIS N N 34 120.938 120.938 119.946 0.992 19331 6602 1 20 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.128 0.092 19331 6603 1 20 . 1 1 34 34 HIS C C 34 178.486 178.486 177.386 1.100 19331 6604 1 20 . 1 1 34 34 HIS CA C 34 59.798 59.798 60.851 -1.053 19331 6605 1 20 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.849 -1.812 19331 6606 1 20 . 1 1 34 34 HIS H H 34 8.664 8.664 8.214 0.450 19331 6607 1 20 . 1 1 35 35 LYS N N 35 119.725 119.725 117.577 2.148 19331 6608 1 20 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.154 -0.438 19331 6609 1 20 . 1 1 35 35 LYS C C 35 178.526 178.526 179.025 -0.499 19331 6610 1 20 . 1 1 35 35 LYS CA C 35 60.666 60.666 59.397 1.270 19331 6611 1 20 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.352 -0.924 19331 6612 1 20 . 1 1 35 35 LYS H H 35 9.034 9.034 7.969 1.065 19331 6613 1 20 . 1 1 36 36 ARG N N 36 118.491 118.491 119.925 -1.434 19331 6614 1 20 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.208 -0.059 19331 6615 1 20 . 1 1 36 36 ARG C C 36 177.752 177.752 178.109 -0.357 19331 6616 1 20 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.419 -0.312 19331 6617 1 20 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.831 -0.117 19331 6618 1 20 . 1 1 36 36 ARG H H 36 7.458 7.458 7.786 -0.328 19331 6619 1 20 . 1 1 37 37 SER N N 37 113.811 113.811 113.820 -0.009 19331 6620 1 20 . 1 1 37 37 SER HA H 37 4.202 4.202 4.374 -0.172 19331 6621 1 20 . 1 1 37 37 SER C C 37 174.576 174.576 176.354 -1.778 19331 6622 1 20 . 1 1 37 37 SER CA C 37 60.412 60.412 61.012 -0.600 19331 6623 1 20 . 1 1 37 37 SER CB C 37 62.129 62.129 63.158 -1.029 19331 6624 1 20 . 1 1 37 37 SER H H 37 7.771 7.771 8.042 -0.271 19331 6625 1 20 . 1 1 38 38 HIS N N 38 118.829 118.829 119.568 -0.739 19331 6626 1 20 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.451 0.543 19331 6627 1 20 . 1 1 38 38 HIS C C 38 174.977 174.977 176.971 -1.994 19331 6628 1 20 . 1 1 38 38 HIS CA C 38 54.798 54.798 58.902 -4.104 19331 6629 1 20 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.372 -2.055 19331 6630 1 20 . 1 1 38 38 HIS H H 38 7.265 7.265 7.395 -0.130 19331 6631 1 20 . 1 1 39 39 THR N N 39 113.289 113.289 112.101 1.188 19331 6632 1 20 . 1 1 39 39 THR HA H 39 4.353 4.353 3.922 0.431 19331 6633 1 20 . 1 1 39 39 THR C C 39 174.977 174.977 175.494 -0.517 19331 6634 1 20 . 1 1 39 39 THR CA C 39 62.252 62.252 64.070 -1.818 19331 6635 1 20 . 1 1 39 39 THR CB C 39 69.773 69.773 67.904 1.869 19331 6636 1 20 . 1 1 39 39 THR H H 39 7.814 7.814 8.370 -0.556 19331 6637 1 20 . 1 1 40 40 GLY N N 40 110.879 110.879 111.330 -0.451 19331 6638 1 20 . 1 1 40 40 GLY C C 40 173.802 173.802 171.642 2.160 19331 6639 1 20 . 1 1 40 40 GLY CA C 40 45.173 45.173 44.544 0.629 19331 6640 1 20 . 1 1 40 40 GLY H H 40 8.425 8.425 7.909 0.516 19331 6641 1 20 . 1 1 41 41 GLU N N 41 120.081 120.081 122.578 -2.497 19331 6642 1 20 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.546 -0.324 19331 6643 1 20 . 1 1 41 41 GLU C C 41 176.151 176.151 176.297 -0.146 19331 6644 1 20 . 1 1 41 41 GLU CA C 41 56.710 56.710 55.426 1.284 19331 6645 1 20 . 1 1 41 41 GLU CB C 41 30.550 30.550 30.572 -0.022 19331 6646 1 20 . 1 1 41 41 GLU H H 41 8.127 8.127 8.441 -0.314 19331 6647 1 20 . 1 1 42 42 ARG N N 42 121.379 121.379 126.230 -4.851 19331 6648 1 20 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.174 0.356 19331 6649 1 20 . 1 1 42 42 ARG CA C 42 53.378 53.378 54.309 -0.931 19331 6650 1 20 . 1 1 42 42 ARG CB C 42 30.025 30.025 29.014 1.011 19331 6651 1 20 . 1 1 42 42 ARG H H 42 8.370 8.370 8.509 -0.139 19331 6652 1 20 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.237 0.023 19331 6653 1 20 . 1 1 43 43 PRO C C 43 176.151 176.151 175.731 0.420 19331 6654 1 20 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.768 0.884 19331 6655 1 20 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.899 0.170 19331 6656 1 20 . 1 1 44 44 PHE N N 44 116.589 116.589 112.625 3.964 19331 6657 1 20 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.271 0.574 19331 6658 1 20 . 1 1 44 44 PHE C C 44 174.603 174.603 174.465 0.138 19331 6659 1 20 . 1 1 44 44 PHE CA C 44 57.080 57.080 58.437 -1.357 19331 6660 1 20 . 1 1 44 44 PHE CB C 44 39.654 39.654 36.001 3.653 19331 6661 1 20 . 1 1 44 44 PHE H H 44 7.659 7.659 7.949 -0.290 19331 6662 1 20 . 1 1 45 45 HIS N N 45 121.791 121.791 118.111 3.680 19331 6663 1 20 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.748 0.543 19331 6664 1 20 . 1 1 45 45 HIS C C 45 172.655 172.655 174.726 -2.071 19331 6665 1 20 . 1 1 45 45 HIS CA C 45 54.560 54.560 55.562 -1.002 19331 6666 1 20 . 1 1 45 45 HIS CB C 45 31.774 31.774 30.899 0.875 19331 6667 1 20 . 1 1 45 45 HIS H H 45 9.070 9.070 7.900 1.170 19331 6668 1 20 . 1 1 46 46 CYS N N 46 125.392 125.392 127.330 -1.938 19331 6669 1 20 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.437 0.105 19331 6670 1 20 . 1 1 46 46 CYS C C 46 176.525 176.525 175.480 1.045 19331 6671 1 20 . 1 1 46 46 CYS CA C 46 59.233 59.233 58.321 0.912 19331 6672 1 20 . 1 1 46 46 CYS CB C 46 29.948 29.948 28.472 1.476 19331 6673 1 20 . 1 1 46 46 CYS H H 46 9.189 9.189 8.268 0.921 19331 6674 1 20 . 1 1 47 47 ASN N N 47 128.827 128.827 125.522 3.305 19331 6675 1 20 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.340 0.357 19331 6676 1 20 . 1 1 47 47 ASN C C 47 175.433 175.433 175.946 -0.513 19331 6677 1 20 . 1 1 47 47 ASN CA C 47 54.982 54.982 55.857 -0.875 19331 6678 1 20 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.481 -0.244 19331 6679 1 20 . 1 1 47 47 ASN H H 47 9.302 9.302 8.672 0.630 19331 6680 1 20 . 1 1 48 48 GLN N N 48 120.952 120.952 120.028 0.924 19331 6681 1 20 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.449 -0.142 19331 6682 1 20 . 1 1 48 48 GLN C C 48 176.151 176.151 174.593 1.558 19331 6683 1 20 . 1 1 48 48 GLN CA C 48 57.832 57.832 55.406 2.426 19331 6684 1 20 . 1 1 48 48 GLN CB C 48 29.163 29.163 27.166 1.997 19331 6685 1 20 . 1 1 48 48 GLN H H 48 9.139 9.139 8.320 0.819 19331 6686 1 20 . 1 1 49 49 CYS N N 49 116.176 116.176 118.054 -1.878 19331 6687 1 20 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.823 0.326 19331 6688 1 20 . 1 1 49 49 CYS C C 49 175.430 175.430 175.263 0.167 19331 6689 1 20 . 1 1 49 49 CYS CA C 49 58.349 58.349 59.288 -0.939 19331 6690 1 20 . 1 1 49 49 CYS CB C 49 32.264 32.264 29.889 2.375 19331 6691 1 20 . 1 1 49 49 CYS H H 49 8.117 8.117 8.409 -0.292 19331 6692 1 20 . 1 1 50 50 GLY N N 50 111.724 111.724 112.275 -0.551 19331 6693 1 20 . 1 1 50 50 GLY C C 50 173.758 173.758 173.385 0.373 19331 6694 1 20 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.481 0.410 19331 6695 1 20 . 1 1 50 50 GLY H H 50 8.142 8.142 8.074 0.068 19331 6696 1 20 . 1 1 51 51 ALA N N 51 126.041 126.041 124.479 1.562 19331 6697 1 20 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.404 -0.317 19331 6698 1 20 . 1 1 51 51 ALA C C 51 175.350 175.350 175.882 -0.532 19331 6699 1 20 . 1 1 51 51 ALA CA C 51 53.505 53.505 50.916 2.589 19331 6700 1 20 . 1 1 51 51 ALA CB C 51 19.611 19.611 20.120 -0.509 19331 6701 1 20 . 1 1 51 51 ALA H H 51 8.420 8.420 7.547 0.873 19331 6702 1 20 . 1 1 52 52 SER N N 52 113.511 113.511 118.737 -5.226 19331 6703 1 20 . 1 1 52 52 SER HA H 52 5.255 5.255 4.723 0.532 19331 6704 1 20 . 1 1 52 52 SER C C 52 173.002 173.002 173.301 -0.299 19331 6705 1 20 . 1 1 52 52 SER CA C 52 56.680 56.680 56.727 -0.047 19331 6706 1 20 . 1 1 52 52 SER CB C 52 65.958 65.958 63.451 2.507 19331 6707 1 20 . 1 1 52 52 SER H H 52 7.829 7.829 8.323 -0.494 19331 6708 1 20 . 1 1 53 53 PHE N N 53 117.376 117.376 125.964 -8.588 19331 6709 1 20 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.935 -0.057 19331 6710 1 20 . 1 1 53 53 PHE C C 53 174.977 174.977 175.902 -0.925 19331 6711 1 20 . 1 1 53 53 PHE CA C 53 57.556 57.556 56.961 0.595 19331 6712 1 20 . 1 1 53 53 PHE CB C 53 43.874 43.874 41.565 2.309 19331 6713 1 20 . 1 1 53 53 PHE H H 53 8.802 8.802 8.212 0.590 19331 6714 1 20 . 1 1 54 54 THR N N 54 114.290 114.290 115.589 -1.299 19331 6715 1 20 . 1 1 54 54 THR HA H 54 4.553 4.553 4.448 0.105 19331 6716 1 20 . 1 1 54 54 THR C C 54 174.229 174.229 174.806 -0.577 19331 6717 1 20 . 1 1 54 54 THR CA C 54 63.789 63.789 62.905 0.884 19331 6718 1 20 . 1 1 54 54 THR CB C 54 69.491 69.491 69.469 0.022 19331 6719 1 20 . 1 1 54 54 THR H H 54 9.129 9.129 8.937 0.192 19331 6720 1 20 . 1 1 55 55 GLN N N 55 117.684 117.684 117.509 0.175 19331 6721 1 20 . 1 1 55 55 GLN HA H 55 4.784 4.784 3.834 0.950 19331 6722 1 20 . 1 1 55 55 GLN C C 55 176.124 176.124 174.836 1.288 19331 6723 1 20 . 1 1 55 55 GLN CA C 55 54.065 54.065 53.823 0.242 19331 6724 1 20 . 1 1 55 55 GLN CB C 55 31.444 31.444 31.756 -0.312 19331 6725 1 20 . 1 1 55 55 GLN H H 55 7.563 7.563 7.569 -0.006 19331 6726 1 20 . 1 1 56 56 LYS N N 56 127.497 127.497 120.153 7.344 19331 6727 1 20 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.868 -1.077 19331 6728 1 20 . 1 1 56 56 LYS C C 56 178.179 178.179 178.218 -0.039 19331 6729 1 20 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.010 0.287 19331 6730 1 20 . 1 1 56 56 LYS CB C 56 31.734 31.734 32.225 -0.491 19331 6731 1 20 . 1 1 56 56 LYS H H 56 8.680 8.680 8.224 0.456 19331 6732 1 20 . 1 1 57 57 GLY N N 57 105.111 105.111 107.079 -1.968 19331 6733 1 20 . 1 1 57 57 GLY C C 57 176.204 176.204 175.994 0.210 19331 6734 1 20 . 1 1 57 57 GLY CA C 57 47.070 47.070 46.943 0.127 19331 6735 1 20 . 1 1 57 57 GLY H H 57 8.900 8.900 8.555 0.345 19331 6736 1 20 . 1 1 58 58 ASN N N 58 117.732 117.732 120.281 -2.549 19331 6737 1 20 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.265 0.183 19331 6738 1 20 . 1 1 58 58 ASN C C 58 177.325 177.325 177.083 0.242 19331 6739 1 20 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.144 -0.232 19331 6740 1 20 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.932 -0.470 19331 6741 1 20 . 1 1 58 58 ASN H H 58 6.958 6.958 7.307 -0.349 19331 6742 1 20 . 1 1 59 59 LEU N N 59 123.027 123.027 122.046 0.981 19331 6743 1 20 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.962 -0.836 19331 6744 1 20 . 1 1 59 59 LEU C C 59 177.352 177.352 177.883 -0.531 19331 6745 1 20 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.697 -0.038 19331 6746 1 20 . 1 1 59 59 LEU CB C 59 39.910 39.910 42.014 -2.104 19331 6747 1 20 . 1 1 59 59 LEU H H 59 6.885 6.885 7.260 -0.375 19331 6748 1 20 . 1 1 60 60 LEU N N 60 117.860 117.860 116.865 0.995 19331 6749 1 20 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.983 -0.087 19331 6750 1 20 . 1 1 60 60 LEU C C 60 179.669 179.669 178.970 0.699 19331 6751 1 20 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.444 0.694 19331 6752 1 20 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.369 -0.737 19331 6753 1 20 . 1 1 60 60 LEU H H 60 8.078 8.078 8.347 -0.269 19331 6754 1 20 . 1 1 61 61 ARG N N 61 117.382 117.382 118.447 -1.065 19331 6755 1 20 . 1 1 61 61 ARG HA H 61 3.928 3.928 4.028 -0.100 19331 6756 1 20 . 1 1 61 61 ARG C C 61 177.752 177.752 178.146 -0.394 19331 6757 1 20 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.740 0.518 19331 6758 1 20 . 1 1 61 61 ARG CB C 61 30.346 30.346 30.398 -0.052 19331 6759 1 20 . 1 1 61 61 ARG H H 61 7.414 7.414 7.371 0.043 19331 6760 1 20 . 1 1 62 62 HIS N N 62 119.118 119.118 119.312 -0.194 19331 6761 1 20 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.303 -0.192 19331 6762 1 20 . 1 1 62 62 HIS C C 62 176.978 176.978 177.874 -0.896 19331 6763 1 20 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.684 -0.118 19331 6764 1 20 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.108 -1.550 19331 6765 1 20 . 1 1 62 62 HIS H H 62 7.360 7.360 7.620 -0.260 19331 6766 1 20 . 1 1 63 63 ILE N N 63 116.662 116.662 115.021 1.641 19331 6767 1 20 . 1 1 63 63 ILE HA H 63 3.669 3.669 4.039 -0.370 19331 6768 1 20 . 1 1 63 63 ILE C C 63 178.526 178.526 177.201 1.325 19331 6769 1 20 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.431 1.444 19331 6770 1 20 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.715 0.369 19331 6771 1 20 . 1 1 63 63 ILE H H 63 8.500 8.500 8.307 0.193 19331 6772 1 20 . 1 1 64 64 LYS N N 64 119.456 119.456 119.874 -0.418 19331 6773 1 20 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.032 0.036 19331 6774 1 20 . 1 1 64 64 LYS C C 64 178.553 178.553 178.678 -0.125 19331 6775 1 20 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.001 -0.334 19331 6776 1 20 . 1 1 64 64 LYS CB C 64 32.004 32.004 31.893 0.111 19331 6777 1 20 . 1 1 64 64 LYS H H 64 7.174 7.174 7.462 -0.288 19331 6778 1 20 . 1 1 65 65 LEU N N 65 118.539 118.539 118.135 0.404 19331 6779 1 20 . 1 1 65 65 LEU HA H 65 4.064 4.064 3.912 0.152 19331 6780 1 20 . 1 1 65 65 LEU C C 65 178.980 178.980 178.558 0.422 19331 6781 1 20 . 1 1 65 65 LEU CA C 65 56.607 56.607 57.217 -0.610 19331 6782 1 20 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.538 -0.561 19331 6783 1 20 . 1 1 65 65 LEU H H 65 7.744 7.744 7.343 0.401 19331 6784 1 20 . 1 1 66 66 HIS N N 66 115.422 115.422 115.178 0.244 19331 6785 1 20 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.390 0.343 19331 6786 1 20 . 1 1 66 66 HIS C C 66 175.671 175.671 175.943 -0.272 19331 6787 1 20 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.765 -1.637 19331 6788 1 20 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.273 -1.700 19331 6789 1 20 . 1 1 66 66 HIS H H 66 7.357 7.357 7.510 -0.153 19331 6790 1 20 . 1 1 67 67 SER N N 67 115.047 115.047 111.970 3.077 19331 6791 1 20 . 1 1 67 67 SER HA H 67 4.459 4.459 4.207 0.252 19331 6792 1 20 . 1 1 67 67 SER C C 67 175.003 175.003 175.315 -0.312 19331 6793 1 20 . 1 1 67 67 SER CA C 67 59.246 59.246 59.029 0.217 19331 6794 1 20 . 1 1 67 67 SER CB C 67 63.693 63.693 62.386 1.307 19331 6795 1 20 . 1 1 67 67 SER H H 67 7.859 7.859 7.892 -0.033 19331 6796 1 20 . 1 1 68 68 GLY N N 68 110.437 110.437 109.479 0.958 19331 6797 1 20 . 1 1 68 68 GLY C C 68 173.812 173.812 174.357 -0.545 19331 6798 1 20 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.958 -0.651 19331 6799 1 20 . 1 1 68 68 GLY H H 68 8.281 8.281 7.998 0.283 19331 6800 1 20 . 1 1 69 69 GLU N N 69 120.321 120.321 120.568 -0.247 19331 6801 1 20 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.658 -0.378 19331 6802 1 20 . 1 1 69 69 GLU C C 69 176.124 176.124 174.732 1.392 19331 6803 1 20 . 1 1 69 69 GLU CA C 69 56.393 56.393 55.910 0.483 19331 6804 1 20 . 1 1 69 69 GLU CB C 69 30.396 30.396 30.138 0.258 19331 6805 1 20 . 1 1 69 69 GLU H H 69 8.069 8.069 8.542 -0.473 19331 6806 1 20 . 1 1 70 70 LYS N N 70 123.278 123.278 122.617 0.661 19331 6807 1 20 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.770 -0.176 19331 6808 1 20 . 1 1 70 70 LYS CA C 70 54.065 54.065 53.462 0.604 19331 6809 1 20 . 1 1 70 70 LYS CB C 70 32.557 32.557 33.509 -0.952 19331 6810 1 20 . 1 1 70 70 LYS H H 70 8.349 8.349 8.151 0.198 19331 6811 1 20 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.393 -0.002 19331 6812 1 20 . 1 1 71 71 PRO C C 71 176.178 176.178 176.733 -0.555 19331 6813 1 20 . 1 1 71 71 PRO CA C 71 63.143 63.143 64.113 -0.970 19331 6814 1 20 . 1 1 71 71 PRO CB C 71 31.837 31.837 32.202 -0.364 19331 6815 1 20 . 1 1 72 72 PHE N N 72 120.324 120.324 120.612 -0.288 19331 6816 1 20 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.587 0.019 19331 6817 1 20 . 1 1 72 72 PHE C C 72 174.546 174.546 175.158 -0.612 19331 6818 1 20 . 1 1 72 72 PHE CA C 72 57.543 57.543 56.467 1.076 19331 6819 1 20 . 1 1 72 72 PHE CB C 72 39.501 39.501 38.017 1.484 19331 6820 1 20 . 1 1 72 72 PHE H H 72 8.177 8.177 7.974 0.203 19331 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 57 3.421 -0.013 3.451 19331 2 1 1 "Average Difference" HA 61 0.296 0.038 0.296 19331 3 1 1 "Average Difference" C 58 1.067 -0.074 1.073 19331 4 1 1 "Average Difference" CA 61 1.417 -0.478 1.345 19331 5 1 1 "Average Difference" CB 54 1.414 -0.134 1.421 19331 6 1 1 "Average Difference" HN 57 0.505 -0.011 0.509 19331 7 1 2 "Average Difference" N 57 3.444 0.490 3.439 19331 8 1 2 "Average Difference" HA 61 0.343 0.029 0.345 19331 9 1 2 "Average Difference" C 58 1.045 -0.175 1.039 19331 10 1 2 "Average Difference" CA 61 1.456 -0.473 1.389 19331 11 1 2 "Average Difference" CB 54 1.403 -0.285 1.387 19331 12 1 2 "Average Difference" HN 57 0.488 -0.079 0.486 19331 13 1 3 "Average Difference" N 57 3.657 0.686 3.624 19331 14 1 3 "Average Difference" HA 61 0.365 -0.034 0.367 19331 15 1 3 "Average Difference" C 58 0.946 -0.041 0.954 19331 16 1 3 "Average Difference" CA 61 1.314 -0.437 1.250 19331 17 1 3 "Average Difference" CB 54 1.836 -0.419 1.805 19331 18 1 3 "Average Difference" HN 57 0.516 -0.082 0.514 19331 19 1 4 "Average Difference" N 57 3.737 -0.149 3.767 19331 20 1 4 "Average Difference" HA 61 0.319 -0.012 0.322 19331 21 1 4 "Average Difference" C 58 1.049 -0.037 1.057 19331 22 1 4 "Average Difference" CA 61 1.401 -0.275 1.385 19331 23 1 4 "Average Difference" CB 54 1.516 -0.175 1.520 19331 24 1 4 "Average Difference" HN 57 0.511 -0.069 0.511 19331 25 1 5 "Average Difference" N 57 3.425 0.255 3.446 19331 26 1 5 "Average Difference" HA 61 0.352 -0.004 0.355 19331 27 1 5 "Average Difference" C 58 1.124 -0.062 1.133 19331 28 1 5 "Average Difference" CA 61 1.366 -0.205 1.361 19331 29 1 5 "Average Difference" CB 54 1.674 -0.300 1.662 19331 30 1 5 "Average Difference" HN 57 0.490 -0.062 0.491 19331 31 1 6 "Average Difference" N 57 3.036 -0.026 3.063 19331 32 1 6 "Average Difference" HA 61 0.373 -0.018 0.376 19331 33 1 6 "Average Difference" C 58 0.936 -0.027 0.943 19331 34 1 6 "Average Difference" CA 61 1.235 -0.354 1.193 19331 35 1 6 "Average Difference" CB 54 1.819 -0.348 1.802 19331 36 1 6 "Average Difference" HN 57 0.494 -0.044 0.497 19331 37 1 7 "Average Difference" N 57 3.271 0.079 3.299 19331 38 1 7 "Average Difference" HA 61 0.361 0.066 0.357 19331 39 1 7 "Average Difference" C 58 1.135 -0.272 1.112 19331 40 1 7 "Average Difference" CA 61 1.189 -0.381 1.136 19331 41 1 7 "Average Difference" CB 54 1.416 -0.162 1.420 19331 42 1 7 "Average Difference" HN 57 0.539 -0.050 0.542 19331 43 1 8 "Average Difference" N 57 3.552 0.488 3.549 19331 44 1 8 "Average Difference" HA 61 0.324 0.004 0.327 19331 45 1 8 "Average Difference" C 58 1.038 -0.094 1.043 19331 46 1 8 "Average Difference" CA 61 1.346 -0.341 1.313 19331 47 1 8 "Average Difference" CB 54 1.497 -0.318 1.477 19331 48 1 8 "Average Difference" HN 57 0.497 -0.051 0.499 19331 49 1 9 "Average Difference" N 57 3.665 -0.015 3.698 19331 50 1 9 "Average Difference" HA 61 0.313 0.020 0.315 19331 51 1 9 "Average Difference" C 58 1.074 -0.189 1.066 19331 52 1 9 "Average Difference" CA 61 1.223 -0.390 1.169 19331 53 1 9 "Average Difference" CB 54 1.561 -0.304 1.546 19331 54 1 9 "Average Difference" HN 57 0.541 -0.103 0.535 19331 55 1 10 "Average Difference" N 57 2.983 0.123 3.007 19331 56 1 10 "Average Difference" HA 61 0.281 0.012 0.284 19331 57 1 10 "Average Difference" C 58 0.973 -0.046 0.981 19331 58 1 10 "Average Difference" CA 61 1.228 -0.299 1.201 19331 59 1 10 "Average Difference" CB 54 1.364 -0.086 1.374 19331 60 1 10 "Average Difference" HN 57 0.516 -0.019 0.520 19331 61 1 11 "Average Difference" N 57 2.954 -0.071 2.979 19331 62 1 11 "Average Difference" HA 61 0.328 0.059 0.325 19331 63 1 11 "Average Difference" C 58 1.135 -0.126 1.138 19331 64 1 11 "Average Difference" CA 61 1.393 -0.520 1.303 19331 65 1 11 "Average Difference" CB 54 1.478 -0.140 1.485 19331 66 1 11 "Average Difference" HN 57 0.512 -0.121 0.502 19331 67 1 12 "Average Difference" N 57 3.579 -0.114 3.609 19331 68 1 12 "Average Difference" HA 61 0.299 0.049 0.297 19331 69 1 12 "Average Difference" C 58 0.901 -0.126 0.900 19331 70 1 12 "Average Difference" CA 61 1.300 -0.428 1.238 19331 71 1 12 "Average Difference" CB 54 1.515 -0.120 1.525 19331 72 1 12 "Average Difference" HN 57 0.503 -0.023 0.507 19331 73 1 13 "Average Difference" N 57 3.094 0.158 3.118 19331 74 1 13 "Average Difference" HA 61 0.297 0.035 0.298 19331 75 1 13 "Average Difference" C 58 1.026 -0.112 1.029 19331 76 1 13 "Average Difference" CA 61 1.300 -0.546 1.190 19331 77 1 13 "Average Difference" CB 54 1.517 0.040 1.531 19331 78 1 13 "Average Difference" HN 57 0.472 -0.017 0.476 19331 79 1 14 "Average Difference" N 57 3.377 0.112 3.406 19331 80 1 14 "Average Difference" HA 61 0.365 0.052 0.365 19331 81 1 14 "Average Difference" C 58 1.156 -0.197 1.149 19331 82 1 14 "Average Difference" CA 61 1.287 -0.431 1.222 19331 83 1 14 "Average Difference" CB 54 1.590 -0.111 1.601 19331 84 1 14 "Average Difference" HN 57 0.570 -0.059 0.572 19331 85 1 15 "Average Difference" N 57 3.734 -0.342 3.751 19331 86 1 15 "Average Difference" HA 61 0.338 0.015 0.341 19331 87 1 15 "Average Difference" C 58 0.966 -0.158 0.961 19331 88 1 15 "Average Difference" CA 61 1.298 -0.369 1.255 19331 89 1 15 "Average Difference" CB 54 1.752 -0.133 1.763 19331 90 1 15 "Average Difference" HN 57 0.558 0.025 0.562 19331 91 1 16 "Average Difference" N 57 3.247 0.166 3.271 19331 92 1 16 "Average Difference" HA 61 0.320 0.059 0.317 19331 93 1 16 "Average Difference" C 58 1.093 -0.276 1.066 19331 94 1 16 "Average Difference" CA 61 1.422 -0.501 1.341 19331 95 1 16 "Average Difference" CB 54 1.374 0.062 1.385 19331 96 1 16 "Average Difference" HN 57 0.458 -0.049 0.459 19331 97 1 17 "Average Difference" N 57 3.693 -0.413 3.702 19331 98 1 17 "Average Difference" HA 61 0.353 0.047 0.353 19331 99 1 17 "Average Difference" C 58 1.052 -0.099 1.056 19331 100 1 17 "Average Difference" CA 61 1.474 -0.383 1.435 19331 101 1 17 "Average Difference" CB 54 1.385 0.018 1.398 19331 102 1 17 "Average Difference" HN 57 0.492 0.031 0.495 19331 103 1 18 "Average Difference" N 57 2.989 0.162 3.011 19331 104 1 18 "Average Difference" HA 61 0.313 -0.003 0.315 19331 105 1 18 "Average Difference" C 58 1.080 -0.093 1.086 19331 106 1 18 "Average Difference" CA 61 1.213 -0.447 1.137 19331 107 1 18 "Average Difference" CB 54 1.557 -0.198 1.559 19331 108 1 18 "Average Difference" HN 57 0.495 -0.060 0.496 19331 109 1 19 "Average Difference" N 57 3.771 -0.015 3.805 19331 110 1 19 "Average Difference" HA 61 0.298 0.044 0.297 19331 111 1 19 "Average Difference" C 58 1.088 -0.067 1.096 19331 112 1 19 "Average Difference" CA 61 1.370 -0.564 1.258 19331 113 1 19 "Average Difference" CB 54 1.534 -0.240 1.529 19331 114 1 19 "Average Difference" HN 57 0.481 -0.019 0.485 19331 115 1 20 "Average Difference" N 57 3.442 -0.364 3.453 19331 116 1 20 "Average Difference" HA 61 0.382 -0.020 0.385 19331 117 1 20 "Average Difference" C 58 1.109 -0.171 1.106 19331 118 1 20 "Average Difference" CA 61 1.334 -0.327 1.304 19331 119 1 20 "Average Difference" CB 54 1.602 -0.334 1.581 19331 120 1 20 "Average Difference" HN 57 0.448 -0.081 0.445 19331 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19331 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 12 12 PRO HA H 12 4.260 4.260 4.581 -0.321 19331 2 1 . 1 1 12 12 PRO C C 12 175.377 175.377 175.797 -0.420 19331 3 1 . 1 1 12 12 PRO CA C 12 63.385 63.385 62.781 0.604 19331 4 1 . 1 1 12 12 PRO CB C 12 32.069 32.069 32.004 0.064 19331 5 1 . 1 1 13 13 ASN N N 13 123.885 123.885 119.950 3.935 19331 6 1 . 1 1 13 13 ASN HA H 13 4.464 4.464 4.858 -0.394 19331 7 1 . 1 1 13 13 ASN C C 13 176.178 176.178 174.925 1.252 19331 8 1 . 1 1 13 13 ASN CA C 13 54.834 54.834 52.990 1.844 19331 9 1 . 1 1 13 13 ASN CB C 13 41.005 41.005 39.734 1.271 19331 10 1 . 1 1 13 13 ASN H H 13 8.001 8.001 8.582 -0.581 19331 11 1 . 1 1 14 14 GLY N N 14 113.831 113.831 109.715 4.116 19331 12 1 . 1 1 14 14 GLY C C 14 174.152 174.152 173.581 0.571 19331 13 1 . 1 1 14 14 GLY CA C 14 45.365 45.365 45.085 0.280 19331 14 1 . 1 1 14 14 GLY H H 14 8.367 8.367 8.458 -0.091 19331 15 1 . 1 1 15 15 LYS N N 15 119.903 119.903 122.221 -2.318 19331 16 1 . 1 1 15 15 LYS HA H 15 4.297 4.297 4.527 -0.230 19331 17 1 . 1 1 15 15 LYS C C 15 176.217 176.217 175.865 0.352 19331 18 1 . 1 1 15 15 LYS CA C 15 56.921 56.921 55.923 0.998 19331 19 1 . 1 1 15 15 LYS CB C 15 32.804 32.804 32.977 -0.173 19331 20 1 . 1 1 15 15 LYS H H 15 8.200 8.200 8.173 0.027 19331 21 1 . 1 1 16 16 LEU N N 16 122.670 122.670 123.053 -0.383 19331 22 1 . 1 1 16 16 LEU HA H 16 4.454 4.454 4.608 -0.154 19331 23 1 . 1 1 16 16 LEU C C 16 173.805 173.805 176.178 -2.373 19331 24 1 . 1 1 16 16 LEU CA C 16 55.080 55.080 54.524 0.556 19331 25 1 . 1 1 16 16 LEU CB C 16 41.852 41.852 42.771 -0.919 19331 26 1 . 1 1 16 16 LEU H H 16 8.394 8.394 8.253 0.141 19331 27 1 . 1 1 17 17 LYS N N 17 120.445 120.445 122.850 -2.405 19331 28 1 . 1 1 17 17 LYS HA H 17 4.877 4.877 4.560 0.317 19331 29 1 . 1 1 17 17 LYS C C 17 175.777 175.777 175.309 0.468 19331 30 1 . 1 1 17 17 LYS CA C 17 54.489 54.489 55.816 -1.327 19331 31 1 . 1 1 17 17 LYS CB C 17 35.154 35.154 33.435 1.719 19331 32 1 . 1 1 17 17 LYS H H 17 8.026 8.026 8.463 -0.437 19331 33 1 . 1 1 18 18 CYS N N 18 127.176 127.176 121.511 5.665 19331 34 1 . 1 1 18 18 CYS HA H 18 4.227 4.227 4.710 -0.483 19331 35 1 . 1 1 18 18 CYS C C 18 176.551 176.551 174.065 2.486 19331 36 1 . 1 1 18 18 CYS CA C 18 60.677 60.677 58.255 2.422 19331 37 1 . 1 1 18 18 CYS CB C 18 29.821 29.821 28.388 1.433 19331 38 1 . 1 1 18 18 CYS H H 18 9.071 9.071 8.547 0.524 19331 39 1 . 1 1 19 19 ASP N N 19 130.419 130.419 124.294 6.125 19331 40 1 . 1 1 19 19 ASP HA H 19 4.364 4.364 4.706 -0.342 19331 41 1 . 1 1 19 19 ASP C C 19 175.433 175.433 175.376 0.057 19331 42 1 . 1 1 19 19 ASP CA C 19 55.671 55.671 54.110 1.561 19331 43 1 . 1 1 19 19 ASP CB C 19 39.613 39.613 41.846 -2.233 19331 44 1 . 1 1 19 19 ASP H H 19 9.137 9.137 8.418 0.719 19331 45 1 . 1 1 20 20 VAL N N 20 123.067 123.067 121.308 1.759 19331 46 1 . 1 1 20 20 VAL HA H 20 3.822 3.822 4.309 -0.487 19331 47 1 . 1 1 20 20 VAL C C 20 177.009 177.009 175.348 1.661 19331 48 1 . 1 1 20 20 VAL CA C 20 65.362 65.362 61.906 3.456 19331 49 1 . 1 1 20 20 VAL CB C 20 32.970 32.970 32.919 0.051 19331 50 1 . 1 1 20 20 VAL H H 20 9.022 9.022 8.342 0.680 19331 51 1 . 1 1 21 21 CYS N N 21 115.484 115.484 123.992 -8.508 19331 52 1 . 1 1 21 21 CYS HA H 21 5.115 5.115 4.720 0.395 19331 53 1 . 1 1 21 21 CYS C C 21 176.178 176.178 175.011 1.167 19331 54 1 . 1 1 21 21 CYS CA C 21 58.067 58.067 58.610 -0.543 19331 55 1 . 1 1 21 21 CYS CB C 21 33.096 33.096 28.700 4.396 19331 56 1 . 1 1 21 21 CYS H H 21 8.092 8.092 8.507 -0.415 19331 57 1 . 1 1 22 22 GLY N N 22 113.222 113.222 112.442 0.780 19331 58 1 . 1 1 22 22 GLY C C 22 173.028 173.028 173.505 -0.477 19331 59 1 . 1 1 22 22 GLY CA C 22 45.741 45.741 44.931 0.810 19331 60 1 . 1 1 22 22 GLY H H 22 7.931 7.931 8.448 -0.517 19331 61 1 . 1 1 23 23 MET N N 23 122.930 122.930 121.586 1.344 19331 62 1 . 1 1 23 23 MET HA H 23 4.075 4.075 4.636 -0.561 19331 63 1 . 1 1 23 23 MET C C 23 174.950 174.950 175.616 -0.666 19331 64 1 . 1 1 23 23 MET CA C 23 57.226 57.226 55.374 1.852 19331 65 1 . 1 1 23 23 MET CB C 23 33.750 33.750 33.581 0.169 19331 66 1 . 1 1 23 23 MET H H 23 8.276 8.276 8.034 0.242 19331 67 1 . 1 1 24 24 VAL N N 24 126.800 126.800 122.890 3.910 19331 68 1 . 1 1 24 24 VAL HA H 24 4.330 4.330 4.202 0.128 19331 69 1 . 1 1 24 24 VAL C C 24 176.124 176.124 174.979 1.145 19331 70 1 . 1 1 24 24 VAL CA C 24 62.581 62.581 62.300 0.280 19331 71 1 . 1 1 24 24 VAL CB C 24 31.843 31.843 32.310 -0.467 19331 72 1 . 1 1 24 24 VAL H H 24 8.466 8.466 8.416 0.050 19331 73 1 . 1 1 25 25 CYS N N 25 125.377 125.377 124.597 0.780 19331 74 1 . 1 1 25 25 CYS HA H 25 4.729 4.729 4.776 -0.047 19331 75 1 . 1 1 25 25 CYS C C 25 173.829 173.829 174.262 -0.433 19331 76 1 . 1 1 25 25 CYS CA C 25 57.510 57.510 58.460 -0.950 19331 77 1 . 1 1 25 25 CYS CB C 25 31.649 31.649 28.289 3.359 19331 78 1 . 1 1 25 25 CYS H H 25 8.720 8.720 8.369 0.351 19331 79 1 . 1 1 26 26 ILE N N 26 119.435 119.435 123.275 -3.840 19331 80 1 . 1 1 26 26 ILE HA H 26 4.170 4.170 4.528 -0.358 19331 81 1 . 1 1 26 26 ILE C C 26 175.334 175.334 175.401 -0.067 19331 82 1 . 1 1 26 26 ILE CA C 26 61.946 61.946 61.321 0.625 19331 83 1 . 1 1 26 26 ILE CB C 26 37.870 37.870 39.484 -1.614 19331 84 1 . 1 1 26 26 ILE H H 26 8.407 8.407 8.391 0.016 19331 85 1 . 1 1 27 27 GLY N N 27 109.455 109.455 113.057 -3.602 19331 86 1 . 1 1 27 27 GLY CA C 27 44.598 44.598 44.416 0.182 19331 87 1 . 1 1 27 27 GLY H H 27 7.444 7.444 8.487 -1.043 19331 88 1 . 1 1 28 28 PRO HA H 28 4.180 4.180 4.483 -0.303 19331 89 1 . 1 1 28 28 PRO C C 28 178.526 178.526 176.837 1.689 19331 90 1 . 1 1 28 28 PRO CA C 28 65.014 65.014 62.249 2.765 19331 91 1 . 1 1 28 28 PRO CB C 28 31.748 31.748 32.726 -0.977 19331 92 1 . 1 1 29 29 ASN N N 29 118.871 118.871 119.695 -0.824 19331 93 1 . 1 1 29 29 ASN HA H 29 4.574 4.574 4.682 -0.108 19331 94 1 . 1 1 29 29 ASN C C 29 176.925 176.925 176.492 0.433 19331 95 1 . 1 1 29 29 ASN CA C 29 56.454 56.454 53.178 3.276 19331 96 1 . 1 1 29 29 ASN CB C 29 37.481 37.481 37.667 -0.186 19331 97 1 . 1 1 29 29 ASN H H 29 8.722 8.722 8.622 0.100 19331 98 1 . 1 1 30 30 VAL N N 30 120.904 120.904 119.203 1.701 19331 99 1 . 1 1 30 30 VAL HA H 30 3.717 3.717 3.779 -0.062 19331 100 1 . 1 1 30 30 VAL C C 30 178.526 178.526 176.938 1.588 19331 101 1 . 1 1 30 30 VAL CA C 30 65.881 65.881 64.981 0.900 19331 102 1 . 1 1 30 30 VAL CB C 30 31.840 31.840 31.662 0.178 19331 103 1 . 1 1 30 30 VAL H H 30 7.475 7.475 7.781 -0.306 19331 104 1 . 1 1 31 31 LEU N N 31 120.665 120.665 119.992 0.673 19331 105 1 . 1 1 31 31 LEU HA H 31 4.467 4.467 4.053 0.415 19331 106 1 . 1 1 31 31 LEU C C 31 177.379 177.379 178.712 -1.333 19331 107 1 . 1 1 31 31 LEU CA C 31 58.102 58.102 57.567 0.535 19331 108 1 . 1 1 31 31 LEU CB C 31 41.367 41.367 41.496 -0.129 19331 109 1 . 1 1 31 31 LEU H H 31 7.853 7.853 7.700 0.153 19331 110 1 . 1 1 32 32 MET N N 32 117.671 117.671 118.517 -0.846 19331 111 1 . 1 1 32 32 MET HA H 32 4.099 4.099 4.182 -0.083 19331 112 1 . 1 1 32 32 MET C C 32 178.927 178.927 178.239 0.688 19331 113 1 . 1 1 32 32 MET CA C 32 59.015 59.015 58.477 0.538 19331 114 1 . 1 1 32 32 MET CB C 32 32.105 32.105 32.276 -0.171 19331 115 1 . 1 1 32 32 MET H H 32 7.974 7.974 7.620 0.354 19331 116 1 . 1 1 33 33 VAL N N 33 119.384 119.384 118.683 0.701 19331 117 1 . 1 1 33 33 VAL HA H 33 3.542 3.542 3.609 -0.067 19331 118 1 . 1 1 33 33 VAL C C 33 179.275 179.275 177.742 1.533 19331 119 1 . 1 1 33 33 VAL CA C 33 66.653 66.653 66.189 0.464 19331 120 1 . 1 1 33 33 VAL CB C 33 31.815 31.815 31.255 0.560 19331 121 1 . 1 1 33 33 VAL H H 33 7.747 7.747 7.861 -0.114 19331 122 1 . 1 1 34 34 HIS N N 34 120.938 120.938 119.268 1.670 19331 123 1 . 1 1 34 34 HIS HA H 34 4.220 4.220 4.227 -0.007 19331 124 1 . 1 1 34 34 HIS C C 34 178.486 178.486 177.354 1.132 19331 125 1 . 1 1 34 34 HIS CA C 34 59.798 59.798 59.759 0.039 19331 126 1 . 1 1 34 34 HIS CB C 34 28.036 28.036 29.907 -1.871 19331 127 1 . 1 1 34 34 HIS H H 34 8.664 8.664 7.969 0.695 19331 128 1 . 1 1 35 35 LYS N N 35 119.725 119.725 119.117 0.608 19331 129 1 . 1 1 35 35 LYS HA H 35 3.716 3.716 4.131 -0.415 19331 130 1 . 1 1 35 35 LYS C C 35 178.526 178.526 178.998 -0.472 19331 131 1 . 1 1 35 35 LYS CA C 35 60.666 60.666 58.934 1.733 19331 132 1 . 1 1 35 35 LYS CB C 35 31.428 31.428 32.308 -0.880 19331 133 1 . 1 1 35 35 LYS H H 35 9.034 9.034 7.991 1.043 19331 134 1 . 1 1 36 36 ARG N N 36 118.491 118.491 118.911 -0.420 19331 135 1 . 1 1 36 36 ARG HA H 36 4.149 4.149 4.192 -0.043 19331 136 1 . 1 1 36 36 ARG C C 36 177.752 177.752 178.285 -0.532 19331 137 1 . 1 1 36 36 ARG CA C 36 58.107 58.107 58.085 0.022 19331 138 1 . 1 1 36 36 ARG CB C 36 29.714 29.714 29.765 -0.051 19331 139 1 . 1 1 36 36 ARG H H 36 7.458 7.458 7.985 -0.527 19331 140 1 . 1 1 37 37 SER N N 37 113.811 113.811 113.575 0.236 19331 141 1 . 1 1 37 37 SER HA H 37 4.202 4.202 4.257 -0.055 19331 142 1 . 1 1 37 37 SER C C 37 174.576 174.576 175.163 -0.587 19331 143 1 . 1 1 37 37 SER CA C 37 60.412 60.412 60.825 -0.413 19331 144 1 . 1 1 37 37 SER CB C 37 62.129 62.129 63.205 -1.076 19331 145 1 . 1 1 37 37 SER H H 37 7.771 7.771 7.872 -0.101 19331 146 1 . 1 1 38 38 HIS N N 38 118.829 118.829 119.395 -0.566 19331 147 1 . 1 1 38 38 HIS HA H 38 4.994 4.994 4.602 0.392 19331 148 1 . 1 1 38 38 HIS C C 38 174.977 174.977 175.438 -0.461 19331 149 1 . 1 1 38 38 HIS CA C 38 54.798 54.798 56.779 -1.981 19331 150 1 . 1 1 38 38 HIS CB C 38 28.317 28.317 30.257 -1.940 19331 151 1 . 1 1 38 38 HIS H H 38 7.265 7.265 7.585 -0.320 19331 152 1 . 1 1 39 39 THR N N 39 113.289 113.289 114.731 -1.442 19331 153 1 . 1 1 39 39 THR HA H 39 4.353 4.353 4.253 0.100 19331 154 1 . 1 1 39 39 THR C C 39 174.977 174.977 175.129 -0.152 19331 155 1 . 1 1 39 39 THR CA C 39 62.252 62.252 62.776 -0.524 19331 156 1 . 1 1 39 39 THR CB C 39 69.773 69.773 68.997 0.776 19331 157 1 . 1 1 39 39 THR H H 39 7.814 7.814 7.965 -0.151 19331 158 1 . 1 1 40 40 GLY N N 40 110.879 110.879 111.672 -0.793 19331 159 1 . 1 1 40 40 GLY C C 40 173.802 173.802 173.723 0.079 19331 160 1 . 1 1 40 40 GLY CA C 40 45.173 45.173 45.049 0.124 19331 161 1 . 1 1 40 40 GLY H H 40 8.425 8.425 8.121 0.304 19331 162 1 . 1 1 41 41 GLU N N 41 120.081 120.081 121.701 -1.620 19331 163 1 . 1 1 41 41 GLU HA H 41 4.222 4.222 4.265 -0.043 19331 164 1 . 1 1 41 41 GLU C C 41 176.151 176.151 176.098 0.053 19331 165 1 . 1 1 41 41 GLU CA C 41 56.710 56.710 56.275 0.435 19331 166 1 . 1 1 41 41 GLU CB C 41 30.550 30.550 29.706 0.844 19331 167 1 . 1 1 41 41 GLU H H 41 8.127 8.127 8.279 -0.152 19331 168 1 . 1 1 42 42 ARG N N 42 121.379 121.379 123.706 -2.327 19331 169 1 . 1 1 42 42 ARG HA H 42 4.530 4.530 4.443 0.087 19331 170 1 . 1 1 42 42 ARG CA C 42 53.378 53.378 53.695 -0.317 19331 171 1 . 1 1 42 42 ARG CB C 42 30.025 30.025 29.915 0.110 19331 172 1 . 1 1 42 42 ARG H H 42 8.370 8.370 8.066 0.304 19331 173 1 . 1 1 43 43 PRO HA H 43 4.260 4.260 4.301 -0.041 19331 174 1 . 1 1 43 43 PRO C C 43 176.151 176.151 175.877 0.274 19331 175 1 . 1 1 43 43 PRO CA C 43 63.652 63.652 62.660 0.992 19331 176 1 . 1 1 43 43 PRO CB C 43 32.069 32.069 31.744 0.325 19331 177 1 . 1 1 44 44 PHE N N 44 116.589 116.589 121.825 -5.236 19331 178 1 . 1 1 44 44 PHE HA H 44 4.845 4.845 4.421 0.424 19331 179 1 . 1 1 44 44 PHE C C 44 174.603 174.603 175.319 -0.716 19331 180 1 . 1 1 44 44 PHE CA C 44 57.080 57.080 57.922 -0.842 19331 181 1 . 1 1 44 44 PHE CB C 44 39.654 39.654 38.326 1.328 19331 182 1 . 1 1 44 44 PHE H H 44 7.659 7.659 8.138 -0.479 19331 183 1 . 1 1 45 45 HIS N N 45 121.791 121.791 120.574 1.217 19331 184 1 . 1 1 45 45 HIS HA H 45 5.291 5.291 4.980 0.311 19331 185 1 . 1 1 45 45 HIS C C 45 172.655 172.655 174.799 -2.144 19331 186 1 . 1 1 45 45 HIS CA C 45 54.560 54.560 55.143 -0.583 19331 187 1 . 1 1 45 45 HIS CB C 45 31.774 31.774 31.517 0.257 19331 188 1 . 1 1 45 45 HIS H H 45 9.070 9.070 8.118 0.952 19331 189 1 . 1 1 46 46 CYS N N 46 125.392 125.392 125.687 -0.295 19331 190 1 . 1 1 46 46 CYS HA H 46 4.542 4.542 4.502 0.040 19331 191 1 . 1 1 46 46 CYS C C 46 176.525 176.525 174.915 1.610 19331 192 1 . 1 1 46 46 CYS CA C 46 59.233 59.233 59.166 0.067 19331 193 1 . 1 1 46 46 CYS CB C 46 29.948 29.948 27.320 2.628 19331 194 1 . 1 1 46 46 CYS H H 46 9.189 9.189 8.625 0.564 19331 195 1 . 1 1 47 47 ASN N N 47 128.827 128.827 122.694 6.133 19331 196 1 . 1 1 47 47 ASN HA H 47 4.697 4.697 4.645 0.052 19331 197 1 . 1 1 47 47 ASN C C 47 175.433 175.433 175.483 -0.050 19331 198 1 . 1 1 47 47 ASN CA C 47 54.982 54.982 54.942 0.040 19331 199 1 . 1 1 47 47 ASN CB C 47 38.237 38.237 38.572 -0.335 19331 200 1 . 1 1 47 47 ASN H H 47 9.302 9.302 8.762 0.540 19331 201 1 . 1 1 48 48 GLN N N 48 120.952 120.952 119.845 1.107 19331 202 1 . 1 1 48 48 GLN HA H 48 4.307 4.307 4.388 -0.081 19331 203 1 . 1 1 48 48 GLN C C 48 176.151 176.151 175.664 0.487 19331 204 1 . 1 1 48 48 GLN CA C 48 57.832 57.832 56.584 1.248 19331 205 1 . 1 1 48 48 GLN CB C 48 29.163 29.163 28.249 0.914 19331 206 1 . 1 1 48 48 GLN H H 48 9.139 9.139 8.567 0.572 19331 207 1 . 1 1 49 49 CYS N N 49 116.176 116.176 117.042 -0.866 19331 208 1 . 1 1 49 49 CYS HA H 49 5.149 5.149 4.817 0.332 19331 209 1 . 1 1 49 49 CYS C C 49 175.430 175.430 175.709 -0.279 19331 210 1 . 1 1 49 49 CYS CA C 49 58.349 58.349 58.712 -0.364 19331 211 1 . 1 1 49 49 CYS CB C 49 32.264 32.264 28.787 3.477 19331 212 1 . 1 1 49 49 CYS H H 49 8.117 8.117 8.173 -0.056 19331 213 1 . 1 1 50 50 GLY N N 50 111.724 111.724 109.908 1.816 19331 214 1 . 1 1 50 50 GLY C C 50 173.758 173.758 173.661 0.097 19331 215 1 . 1 1 50 50 GLY CA C 50 45.891 45.891 45.182 0.709 19331 216 1 . 1 1 50 50 GLY H H 50 8.142 8.142 8.241 -0.099 19331 217 1 . 1 1 51 51 ALA N N 51 126.041 126.041 123.840 2.201 19331 218 1 . 1 1 51 51 ALA HA H 51 4.087 4.087 4.351 -0.264 19331 219 1 . 1 1 51 51 ALA C C 51 175.350 175.350 175.564 -0.214 19331 220 1 . 1 1 51 51 ALA CA C 51 53.505 53.505 51.303 2.202 19331 221 1 . 1 1 51 51 ALA CB C 51 19.611 19.611 19.977 -0.366 19331 222 1 . 1 1 51 51 ALA H H 51 8.420 8.420 7.583 0.837 19331 223 1 . 1 1 52 52 SER N N 52 113.511 113.511 116.972 -3.461 19331 224 1 . 1 1 52 52 SER HA H 52 5.255 5.255 4.740 0.515 19331 225 1 . 1 1 52 52 SER C C 52 173.002 173.002 173.112 -0.110 19331 226 1 . 1 1 52 52 SER CA C 52 56.680 56.680 57.043 -0.363 19331 227 1 . 1 1 52 52 SER CB C 52 65.958 65.958 64.542 1.416 19331 228 1 . 1 1 52 52 SER H H 52 7.829 7.829 7.976 -0.147 19331 229 1 . 1 1 53 53 PHE N N 53 117.376 117.376 124.426 -7.050 19331 230 1 . 1 1 53 53 PHE HA H 53 4.878 4.878 4.845 0.033 19331 231 1 . 1 1 53 53 PHE C C 53 174.977 174.977 175.782 -0.805 19331 232 1 . 1 1 53 53 PHE CA C 53 57.556 57.556 57.169 0.387 19331 233 1 . 1 1 53 53 PHE CB C 53 43.874 43.874 41.967 1.907 19331 234 1 . 1 1 53 53 PHE H H 53 8.802 8.802 8.506 0.296 19331 235 1 . 1 1 54 54 THR N N 54 114.290 114.290 114.427 -0.137 19331 236 1 . 1 1 54 54 THR HA H 54 4.553 4.553 4.439 0.114 19331 237 1 . 1 1 54 54 THR C C 54 174.229 174.229 174.121 0.108 19331 238 1 . 1 1 54 54 THR CA C 54 63.789 63.789 62.376 1.413 19331 239 1 . 1 1 54 54 THR CB C 54 69.491 69.491 69.377 0.114 19331 240 1 . 1 1 54 54 THR H H 54 9.129 9.129 8.530 0.599 19331 241 1 . 1 1 55 55 GLN N N 55 117.684 117.684 120.238 -2.554 19331 242 1 . 1 1 55 55 GLN HA H 55 4.784 4.784 4.539 0.245 19331 243 1 . 1 1 55 55 GLN C C 55 176.124 176.124 176.144 -0.020 19331 244 1 . 1 1 55 55 GLN CA C 55 54.065 54.065 54.574 -0.509 19331 245 1 . 1 1 55 55 GLN CB C 55 31.444 31.444 30.309 1.135 19331 246 1 . 1 1 55 55 GLN H H 55 7.563 7.563 8.034 -0.471 19331 247 1 . 1 1 56 56 LYS N N 56 127.497 127.497 124.413 3.084 19331 248 1 . 1 1 56 56 LYS HA H 56 2.791 2.791 3.598 -0.807 19331 249 1 . 1 1 56 56 LYS C C 56 178.179 178.179 178.053 0.126 19331 250 1 . 1 1 56 56 LYS CA C 56 59.297 59.297 59.056 0.241 19331 251 1 . 1 1 56 56 LYS CB C 56 31.734 31.734 31.753 -0.019 19331 252 1 . 1 1 56 56 LYS H H 56 8.680 8.680 8.698 -0.018 19331 253 1 . 1 1 57 57 GLY N N 57 105.111 105.111 107.480 -2.369 19331 254 1 . 1 1 57 57 GLY C C 57 176.204 176.204 176.006 0.198 19331 255 1 . 1 1 57 57 GLY CA C 57 47.070 47.070 47.074 -0.004 19331 256 1 . 1 1 57 57 GLY H H 57 8.900 8.900 8.654 0.246 19331 257 1 . 1 1 58 58 ASN N N 58 117.732 117.732 119.721 -1.989 19331 258 1 . 1 1 58 58 ASN HA H 58 4.448 4.448 4.392 0.056 19331 259 1 . 1 1 58 58 ASN C C 58 177.325 177.325 176.783 0.542 19331 260 1 . 1 1 58 58 ASN CA C 58 54.912 54.912 55.198 -0.286 19331 261 1 . 1 1 58 58 ASN CB C 58 37.462 37.462 37.841 -0.379 19331 262 1 . 1 1 58 58 ASN H H 58 6.958 6.958 7.822 -0.864 19331 263 1 . 1 1 59 59 LEU N N 59 123.027 123.027 122.177 0.850 19331 264 1 . 1 1 59 59 LEU HA H 59 3.126 3.126 3.687 -0.561 19331 265 1 . 1 1 59 59 LEU C C 59 177.352 177.352 177.734 -0.382 19331 266 1 . 1 1 59 59 LEU CA C 59 57.659 57.659 57.632 0.027 19331 267 1 . 1 1 59 59 LEU CB C 59 39.910 39.910 41.842 -1.932 19331 268 1 . 1 1 59 59 LEU H H 59 6.885 6.885 7.331 -0.446 19331 269 1 . 1 1 60 60 LEU N N 60 117.860 117.860 117.759 0.101 19331 270 1 . 1 1 60 60 LEU HA H 60 3.896 3.896 3.850 0.046 19331 271 1 . 1 1 60 60 LEU C C 60 179.669 179.669 179.113 0.556 19331 272 1 . 1 1 60 60 LEU CA C 60 58.138 58.138 57.793 0.345 19331 273 1 . 1 1 60 60 LEU CB C 60 40.632 40.632 41.290 -0.658 19331 274 1 . 1 1 60 60 LEU H H 60 8.078 8.078 8.232 -0.154 19331 275 1 . 1 1 61 61 ARG N N 61 117.382 117.382 118.262 -0.880 19331 276 1 . 1 1 61 61 ARG HA H 61 3.928 3.928 3.950 -0.022 19331 277 1 . 1 1 61 61 ARG C C 61 177.752 177.752 178.250 -0.498 19331 278 1 . 1 1 61 61 ARG CA C 61 59.258 59.258 58.824 0.434 19331 279 1 . 1 1 61 61 ARG CB C 61 30.346 30.346 29.807 0.539 19331 280 1 . 1 1 61 61 ARG H H 61 7.414 7.414 7.554 -0.140 19331 281 1 . 1 1 62 62 HIS N N 62 119.118 119.118 119.483 -0.365 19331 282 1 . 1 1 62 62 HIS HA H 62 4.111 4.111 4.328 -0.217 19331 283 1 . 1 1 62 62 HIS C C 62 176.978 176.978 177.809 -0.831 19331 284 1 . 1 1 62 62 HIS CA C 62 59.566 59.566 59.591 -0.025 19331 285 1 . 1 1 62 62 HIS CB C 62 28.558 28.558 30.145 -1.587 19331 286 1 . 1 1 62 62 HIS H H 62 7.360 7.360 7.538 -0.178 19331 287 1 . 1 1 63 63 ILE N N 63 116.662 116.662 115.487 1.175 19331 288 1 . 1 1 63 63 ILE HA H 63 3.669 3.669 3.935 -0.266 19331 289 1 . 1 1 63 63 ILE C C 63 178.526 178.526 177.299 1.227 19331 290 1 . 1 1 63 63 ILE CA C 63 65.875 65.875 64.110 1.765 19331 291 1 . 1 1 63 63 ILE CB C 63 38.085 38.085 37.826 0.259 19331 292 1 . 1 1 63 63 ILE H H 63 8.500 8.500 8.250 0.250 19331 293 1 . 1 1 64 64 LYS N N 64 119.456 119.456 120.682 -1.226 19331 294 1 . 1 1 64 64 LYS HA H 64 4.068 4.068 4.056 0.012 19331 295 1 . 1 1 64 64 LYS C C 64 178.553 178.553 178.865 -0.312 19331 296 1 . 1 1 64 64 LYS CA C 64 58.667 58.667 59.131 -0.464 19331 297 1 . 1 1 64 64 LYS CB C 64 32.004 32.004 32.174 -0.170 19331 298 1 . 1 1 64 64 LYS H H 64 7.174 7.174 7.512 -0.338 19331 299 1 . 1 1 65 65 LEU N N 65 118.539 118.539 117.795 0.744 19331 300 1 . 1 1 65 65 LEU HA H 65 4.064 4.064 4.049 0.015 19331 301 1 . 1 1 65 65 LEU C C 65 178.980 178.980 178.598 0.382 19331 302 1 . 1 1 65 65 LEU CA C 65 56.607 56.607 56.950 -0.343 19331 303 1 . 1 1 65 65 LEU CB C 65 40.977 40.977 41.584 -0.607 19331 304 1 . 1 1 65 65 LEU H H 65 7.744 7.744 7.531 0.213 19331 305 1 . 1 1 66 66 HIS N N 66 115.422 115.422 115.724 -0.302 19331 306 1 . 1 1 66 66 HIS HA H 66 4.733 4.733 4.455 0.278 19331 307 1 . 1 1 66 66 HIS C C 66 175.671 175.671 175.714 -0.043 19331 308 1 . 1 1 66 66 HIS CA C 66 56.128 56.128 57.222 -1.094 19331 309 1 . 1 1 66 66 HIS CB C 66 28.573 28.573 30.016 -1.443 19331 310 1 . 1 1 66 66 HIS H H 66 7.357 7.357 7.579 -0.222 19331 311 1 . 1 1 67 67 SER N N 67 115.047 115.047 113.381 1.666 19331 312 1 . 1 1 67 67 SER HA H 67 4.459 4.459 4.439 0.020 19331 313 1 . 1 1 67 67 SER C C 67 175.003 175.003 174.679 0.324 19331 314 1 . 1 1 67 67 SER CA C 67 59.246 59.246 58.436 0.810 19331 315 1 . 1 1 67 67 SER CB C 67 63.693 63.693 63.545 0.148 19331 316 1 . 1 1 67 67 SER H H 67 7.859 7.859 7.635 0.224 19331 317 1 . 1 1 68 68 GLY N N 68 110.437 110.437 110.060 0.377 19331 318 1 . 1 1 68 68 GLY C C 68 173.812 173.812 174.132 -0.320 19331 319 1 . 1 1 68 68 GLY CA C 68 45.307 45.307 45.526 -0.219 19331 320 1 . 1 1 68 68 GLY H H 68 8.281 8.281 8.164 0.117 19331 321 1 . 1 1 69 69 GLU N N 69 120.321 120.321 120.273 0.048 19331 322 1 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.338 -0.058 19331 323 1 . 1 1 69 69 GLU C C 69 176.124 176.124 175.534 0.590 19331 324 1 . 1 1 69 69 GLU CA C 69 56.393 56.393 56.314 0.079 19331 325 1 . 1 1 69 69 GLU CB C 69 30.396 30.396 29.620 0.776 19331 326 1 . 1 1 69 69 GLU H H 69 8.069 8.069 8.296 -0.227 19331 327 1 . 1 1 70 70 LYS N N 70 123.278 123.278 121.928 1.350 19331 328 1 . 1 1 70 70 LYS HA H 70 4.594 4.594 4.578 0.016 19331 329 1 . 1 1 70 70 LYS CA C 70 54.065 54.065 54.144 -0.079 19331 330 1 . 1 1 70 70 LYS CB C 70 32.557 32.557 32.912 -0.355 19331 331 1 . 1 1 70 70 LYS H H 70 8.349 8.349 7.986 0.363 19331 332 1 . 1 1 71 71 PRO HA H 71 4.391 4.391 4.452 -0.061 19331 333 1 . 1 1 71 71 PRO C C 71 176.178 176.178 176.370 -0.193 19331 334 1 . 1 1 71 71 PRO CA C 71 63.143 63.143 63.120 0.023 19331 335 1 . 1 1 71 71 PRO CB C 71 31.837 31.837 31.658 0.179 19331 336 1 . 1 1 72 72 PHE N N 72 120.324 120.324 122.984 -2.660 19331 337 1 . 1 1 72 72 PHE HA H 72 4.606 4.606 4.406 0.199 19331 338 1 . 1 1 72 72 PHE C C 72 174.546 174.546 175.445 -0.899 19331 339 1 . 1 1 72 72 PHE CA C 72 57.543 57.543 58.540 -0.997 19331 340 1 . 1 1 72 72 PHE CB C 72 39.501 39.501 39.339 0.162 19331 341 1 . 1 1 72 72 PHE H H 72 8.177 8.177 8.372 -0.195 19331 stop_ save_